1) Properties of PLS Regression

1.a)

Prove that \(\textbf{w}_h^T\textbf{p}_h = 1\)

\[w_h = X_{h-1}^T y_{h-1}\] \[p_h = \frac{X_{h-1}^T z_h}{z_h^Tz_h}\]

\(z_h = \frac{X_{h-1}w_h}{w_h^Tw_h}\), so this expression becomes

\[=\frac{X_{h-1}^T[\frac{X_{h-1}w_h}{w_h^Tw_h}]}{z_h^Tz_h}\]

\[=X_{h-1}^TX_{h-1}w_h \frac{1}{w_h^Tw_h}\frac{1}{z_h^Tz_h}\]

\[w_h^Tp_h =w_h^TX_{h-1}^TX_{h-1}w_h \frac{1}{w_h^Tw_h}\frac{1}{z_h^Tz_h}\]

\[=(X_{h-1}w_h)^T(X_{h-1}w_h)\frac{1}{w_h^Tw_h}\frac{1}{z_h^Tz_h}\] Since \(w_h^Tw_h = 1\) and \(X_{h-1}w_h = z_h\): \[=\frac{z_h^Tz_h}{z_h^Tz_h} = 1\]

1.b) Weights and predictor-residuals are orthogonal

\[X_h^T = X_{h-1}^T - p_hz_h^T\] \[w_h^TX_h^T = w_h^TX_{h-1}^T - w_h^Tp_hz_h^T\] We just proved that \(w_h^Tp_h = 1\), so \[= (X_{h-1}w_h)^T - z_h^T\] \[= z_h^T - z_h^T = 0\]

2) Bias of Regression Coefficients in PCR

2.a)

\[E[\beta] = \beta\] \[E[\hat{\beta}_Z^{(k)}] = E[V_k (Z_k^TZ_k)^{-1}Z_k^T y]\] \(y = X\beta + \epsilon\) and \(E[\epsilon]= 0\) so

\[=E[V_k (Z_k^TZ_k)^{-1}Z_k^T X\beta + V_k (Z_k^TZ_k)^{-1}Z_k^T X\beta\epsilon]\] \[= E[V_k (Z_k^TZ_k)^{-1}Z_k^T X\beta]\] And since \(Z_k = X_kV_k\)

\[ = E[V_k [V_k^T X_k^TX_k V_k]^{-1} V_k^TX^TX\beta]\] \[= E[V_k (V_k^T V_k \Lambda_k V_k^T V_k)^{-1} V_k^T X^TX\beta]\] \[=V_kV_k^TV_k\Lambda_K^{-1}V_k^TV_k V_k^T X^TX\beta\] \[= V_k \Lambda_k^{-1}V_k^TX^TX \beta\]

and therefore:

\[E[\hat{\beta}_Z^{(k)} - \beta] = V_k \Lambda_k^{-1}V_k^TX^TX \beta - \beta\] \[=(V_k \Lambda_k^{-1}V_k^TX^TX - I)\beta\] ###2.b) If all of the PCs are used:

\[E[\hat{\beta}_Z - \beta] = (V \Lambda^{-1}V^TX^TX - I)\beta\]

3) Bias of Ridge Regression Coefficients

\[E[\hat{\beta}_r(k)] = E[(X^TX + kI)^{-1}X^Ty]\] \[=(X^TX + kI)^{-1}X^TX\beta\] \[=(VDU^TUDV^T + kI)^{-1} (VDU^T)(UDV^T)\beta\] \[= (VD^2V^T + kI)^{-1}VD^2V^T\beta\] \[= (V\Lambda V^T + kI)^{-1}V\Lambda V^T \beta\] \[E[\hat{\beta}_r(k) - \beta] = (V\Lambda V^T + kI)^{-1}V\Lambda V^T \beta - \beta\] \[= ((V\Lambda V^T + kI)^{-1}V\Lambda V^T - I)\beta\] ##4) models for Solubility Data Note: Elastic Net was not installing on my machine. I was given permission to use glmnet instead

ctr <- trainControl(method="cv", number=10)
require(AppliedPredictiveModeling)
data(solubility)

4.1) PCR

#Set a random seed
set.seed(123)

#Use train to perform the model building process for PCR
pcr_fit <- train(solTrainXtrans, solTrainY,
      method = "pcr",
      tuneLength = 40,
      trControl = ctr,
      preProc = c("center", "scale"))

#Print this object
print(pcr_fit)
## Principal Component Analysis 
## 
## 951 samples
## 228 predictors
## 
## Pre-processing: centered (228), scaled (228) 
## Resampling: Cross-Validated (10 fold) 
## Summary of sample sizes: 855, 856, 857, 855, 858, 856, ... 
## Resampling results across tuning parameters:
## 
##   ncomp  RMSE       Rsquared    MAE      
##    1     2.0308324  0.01319427  1.5750788
##    2     1.9707715  0.07808319  1.5564857
##    3     1.7060142  0.31310580  1.3516080
##    4     1.5932347  0.39865778  1.2381826
##    5     1.5531950  0.43044809  1.2157278
##    6     1.4495472  0.50951831  1.1197682
##    7     1.2923179  0.61147086  1.0058465
##    8     1.2900200  0.61287424  1.0055252
##    9     1.2931754  0.61125881  1.0096277
##   10     1.2696162  0.62392862  0.9831107
##   11     1.2417760  0.63955640  0.9616486
##   12     1.2380954  0.64218389  0.9592778
##   13     1.2423902  0.64004111  0.9621361
##   14     1.1962144  0.66443245  0.9284297
##   15     1.1659604  0.68080222  0.9164647
##   16     1.1189793  0.70514819  0.8815294
##   17     1.0495295  0.73950813  0.8322642
##   18     1.0463827  0.74147585  0.8271144
##   19     1.0323848  0.74793751  0.8108398
##   20     1.0075890  0.75884958  0.7880490
##   21     1.0029671  0.76063415  0.7835055
##   22     1.0029907  0.76044129  0.7858450
##   23     0.9766403  0.77224533  0.7644947
##   24     0.9766865  0.77237125  0.7647721
##   25     0.9753077  0.77313138  0.7648619
##   26     0.9689419  0.77581456  0.7590197
##   27     0.9633727  0.77832661  0.7576389
##   28     0.9647288  0.77785681  0.7573386
##   29     0.9565219  0.78157777  0.7493461
##   30     0.9517489  0.78326666  0.7431782
##   31     0.9414207  0.78795117  0.7339202
##   32     0.9260782  0.79521598  0.7259849
##   33     0.9135169  0.80155128  0.7169702
##   34     0.9151003  0.80095588  0.7171707
##   35     0.8982796  0.80830197  0.7039583
##   36     0.8871799  0.81357182  0.6930306
##   37     0.8781592  0.81758611  0.6838832
##   38     0.8781540  0.81747527  0.6858392
##   39     0.8773834  0.81778114  0.6863168
##   40     0.8696992  0.82092997  0.6813942
## 
## RMSE was used to select the optimal model using  the smallest value.
## The final value used for the model was ncomp = 40.
#Print the RMSE against the number of PCR components
pcr_fit.dt <- pcr_fit$results

plot(pcr_fit)

#What is the number of PCs that gives the minimum RMSE value?
pcr_fit.dt[pcr_fit.dt['RMSE'] == min(pcr_fit.dt['RMSE'])][1]
## [1] 40
#Make a plot of the regression coefficient paths
PCvCoef <- data.frame(coef(pcr_fit$finalModel,1))
PCvCoef['PCs'] <- rep(1, nrow(PCvCoef))
PCvCoef <- cbind(rownames(PCvCoef), data.frame(PCvCoef, row.names=NULL))
names(PCvCoef) <- c('Var', 'Coefficient', 'PCs')

new <- PCvCoef 

for (i in c(2:40)) {
  add <- data.frame(coef(pcr_fit$finalModel,i))
  add['PCs'] <- rep(i, nrow(PCvCoef))
  add <- cbind(rownames(add), data.frame(add, row.names=NULL))
  names(add) <- c('Var','Coefficient', 'PCs')
  new <- rbind(new, add)
}

ggplot(new, aes(x=PCs, y=Coefficient)) + geom_line(aes(group=Var, col=Var)) + theme(legend.position="none")

It’s a bit hard to tell which is which, since there are so many predictors, but their spread is obviously increasing.

4.2) PLSR

#Set a random seed
set.seed(123)

#Use train to perform the model building process for PLS
pls_fit <- train(solTrainXtrans, solTrainY,
      method = "pls",
      tuneLength = 30,
      trControl = ctr,
      preProc = c("center", "scale"))

#Print this object
print(pls_fit)
## Partial Least Squares 
## 
## 951 samples
## 228 predictors
## 
## Pre-processing: centered (228), scaled (228) 
## Resampling: Cross-Validated (10 fold) 
## Summary of sample sizes: 855, 856, 857, 855, 858, 856, ... 
## Resampling results across tuning parameters:
## 
##   ncomp  RMSE       Rsquared   MAE      
##    1     1.2830370  0.6121584  0.9920334
##    2     1.0577980  0.7389346  0.8333411
##    3     0.9367351  0.7928528  0.7261948
##    4     0.8595250  0.8230701  0.6715884
##    5     0.8151386  0.8410412  0.6385128
##    6     0.7815139  0.8539578  0.6095514
##    7     0.7579989  0.8632296  0.5820009
##    8     0.7453174  0.8677882  0.5738257
##    9     0.7351757  0.8713521  0.5652976
##   10     0.7244194  0.8750527  0.5567334
##   11     0.7226700  0.8762441  0.5547074
##   12     0.7123173  0.8793324  0.5469905
##   13     0.7118277  0.8795625  0.5487475
##   14     0.7097585  0.8801948  0.5464206
##   15     0.7060065  0.8814594  0.5427193
##   16     0.7057299  0.8816317  0.5452580
##   17     0.7075520  0.8808714  0.5451574
##   18     0.7053908  0.8815508  0.5452126
##   19     0.7085240  0.8806867  0.5469925
##   20     0.7080592  0.8809294  0.5448573
##   21     0.7087067  0.8807808  0.5458135
##   22     0.7113108  0.8800784  0.5452090
##   23     0.7137803  0.8792575  0.5460563
##   24     0.7156602  0.8787303  0.5475727
##   25     0.7198120  0.8773188  0.5515407
##   26     0.7226025  0.8764729  0.5546388
##   27     0.7254175  0.8755934  0.5560933
##   28     0.7273315  0.8749365  0.5563814
##   29     0.7292893  0.8742369  0.5581913
##   30     0.7311299  0.8736009  0.5581706
## 
## RMSE was used to select the optimal model using  the smallest value.
## The final value used for the model was ncomp = 18.
#Print the RMSE against the number of PLS components
pls_fit.dt <- pls_fit$results

plot(pls_fit)

#What is the number of PCs that gives the minimum RMSE value?
pls_fit.dt[pls_fit.dt['RMSE'] == min(pls_fit.dt['RMSE'])][1]
## [1] 18
#Make a plot of the regression coefficient paths
PCvCoef <- data.frame(coef(pls_fit$finalModel,1))
PCvCoef['PCs'] <- rep(1, nrow(PCvCoef))
PCvCoef <- cbind(rownames(PCvCoef), data.frame(PCvCoef, row.names=NULL))
names(PCvCoef) <- c('Var', 'Coefficient', 'PCs')

new <- PCvCoef 

for (i in c(2:18)) {
  add <- data.frame(coef(pls_fit$finalModel,i))
  add['PCs'] <- rep(i, nrow(PCvCoef))
  add <- cbind(rownames(add), data.frame(add, row.names=NULL))
  names(add) <- c('Var','Coefficient', 'PCs')
  new <- rbind(new, add)
}

ggplot(new, aes(x=PCs, y=Coefficient)) + geom_line(aes(group=Var, col=Var)) + theme(legend.position="none")

4.3 Ridge Regression

NOTE: ELASTIC NET WOULD NOT LOAD ON MY MACHINE.

#Set a random seed
#set.seed(123)

#Define the candidate set of values for the tuning parameters:
#ridgeGrid = data.frame(.lambda = seq(0, .1, length = 15))

#Use train to perform the model building process for Ridge
#ridge_fit <- train(solTrainXtrans, solTrainY,
      #method = "ridge",
      #tuneGrid = ridgeGrid,
      #trControl = ctr,
      #preProc = c("center", "scale"))

#Print this object
#print(ridge_fit)

The following is the above using glmnet (which I was given permission to use instead):

#Set a random seed
set.seed(123)

#Perform the model building process for Ridge
ridge_fit <- cv.glmnet(x=as.matrix(solTrainX), y=solTrainY,family="gaussian",alpha=1, 
                type.measure="mse", nfolds = 10, lambda = seq(0,0.1, length=15),
                standardize=TRUE)

#Print this object
print(ridge_fit)
## $lambda
##  [1] 0.100000000 0.092857143 0.085714286 0.078571429 0.071428571
##  [6] 0.064285714 0.057142857 0.050000000 0.042857143 0.035714286
## [11] 0.028571429 0.021428571 0.014285714 0.007142857 0.000000000
## 
## $cvm
##  [1] 0.7012624 0.6808345 0.6611327 0.6418060 0.6228139 0.6047122 0.5881091
##  [8] 0.5729465 0.5526528 0.5283398 0.5041482 0.4839080 0.4593150 0.4328278
## [15] 0.5179263
## 
## $cvsd
##  [1] 0.04368546 0.04148447 0.03953513 0.03768264 0.03594081 0.03456415
##  [7] 0.03348400 0.03269207 0.03145713 0.02988749 0.02847866 0.02663246
## [13] 0.02485181 0.02523512 0.02847021
## 
## $cvup
##  [1] 0.7449479 0.7223189 0.7006679 0.6794886 0.6587547 0.6392763 0.6215931
##  [8] 0.6056386 0.5841099 0.5582273 0.5326268 0.5105405 0.4841668 0.4580629
## [15] 0.5463965
## 
## $cvlo
##  [1] 0.6575770 0.6393500 0.6215976 0.6041233 0.5868731 0.5701480 0.5546251
##  [8] 0.5402545 0.5211957 0.4984524 0.4756695 0.4572755 0.4344632 0.4075927
## [15] 0.4894561
## 
## $nzero
##  s0  s1  s2  s3  s4  s5  s6  s7  s8  s9 s10 s11 s12 s13 s14 
##  32  34  34  37  39  38  41  46  51  56  67  80 101 128 228 
## 
## $name
##                  mse 
## "Mean-Squared Error" 
## 
## $glmnet.fit
## 
## Call:  glmnet(x = as.matrix(solTrainX), y = solTrainY, lambda = seq(0,      0.1, length = 15), family = "gaussian", alpha = 1, standardize = TRUE) 
## 
##        Df   %Dev   Lambda
##  [1,]  32 0.8456 0.100000
##  [2,]  34 0.8506 0.092860
##  [3,]  34 0.8555 0.085710
##  [4,]  37 0.8603 0.078570
##  [5,]  39 0.8651 0.071430
##  [6,]  38 0.8694 0.064290
##  [7,]  41 0.8734 0.057140
##  [8,]  46 0.8779 0.050000
##  [9,]  51 0.8842 0.042860
## [10,]  56 0.8912 0.035710
## [11,]  67 0.8984 0.028570
## [12,]  80 0.9061 0.021430
## [13,] 101 0.9167 0.014290
## [14,] 128 0.9286 0.007143
## [15,] 228 0.9430 0.000000
## 
## $lambda.min
## [1] 0.007142857
## 
## $lambda.1se
## [1] 0.007142857
## 
## attr(,"class")
## [1] "cv.glmnet"
#Plot the RMSEs against the values of the tuning parameter lambda
RMSE <- (ridge_fit$cvm)**.5
EvL <- data.frame(RMSE, ridge_fit$lambda)
names(EvL) <- c('RMSE', 'Lambda')

ggplot(EvL, aes(x=Lambda, y=RMSE)) + geom_point() + geom_line(col="blue")

#What is the value of lambda that gives the minimum RMSE value?
ridge_fit$lambda.min
## [1] 0.007142857
#Make a plot of the regression coefficient paths
#Code partially found from stack overflow

lambdas <- length(ridge_fit$lambda)
tmp_coeffs <- coef(ridge_fit, s = ridge_fit$lambda[1])
ridgebetadf <- data.frame(name = tmp_coeffs@Dimnames[[1]][tmp_coeffs@i + 1], coefficient = tmp_coeffs@x)
ridgebetadf['lambda'] <- rep(ridge_fit$lambda[1], nrow(ridgebetadf))

for (i in c(2: lambdas)) {
  tmp_coeffs <- coef(ridge_fit, s = ridge_fit$lambda[i])
  new <- data.frame(name = tmp_coeffs@Dimnames[[1]][tmp_coeffs@i + 1], coefficient = tmp_coeffs@x)
  new['lambda'] <- rep(ridge_fit$lambda[i], nrow(new))
  ridgebetadf <- rbind(ridgebetadf, new)
}

ridgebetadf
##                   name   coefficient      lambda
## 1          (Intercept) -3.867786e-01 0.100000000
## 2                FP011  1.041492e-01 0.100000000
## 3                FP039 -2.038969e-01 0.100000000
## 4                FP040  3.254007e-01 0.100000000
## 5                FP043  1.685896e-01 0.100000000
## 6                FP044 -5.488025e-01 0.100000000
## 7                FP050 -3.892125e-03 0.100000000
## 8                FP059 -5.782752e-01 0.100000000
## 9                FP063  2.850949e-01 0.100000000
## 10               FP072  4.584344e-01 0.100000000
## 11               FP073  3.678680e-02 0.100000000
## 12               FP074  1.163293e-01 0.100000000
## 13               FP084  7.470623e-02 0.100000000
## 14               FP094 -5.671923e-02 0.100000000
## 15               FP101  3.962277e-02 0.100000000
## 16               FP111 -1.283601e-01 0.100000000
## 17               FP124  5.447201e-03 0.100000000
## 18               FP135  2.493512e-01 0.100000000
## 19               FP142  3.342292e-01 0.100000000
## 20               FP147  7.361030e-02 0.100000000
## 21               FP172 -4.040584e-02 0.100000000
## 22               FP193 -1.761775e-03 0.100000000
## 23               FP204 -2.214421e-01 0.100000000
## 24               FP206 -2.355033e-01 0.100000000
## 25           MolWeight -7.103118e-03 0.100000000
## 26        NumMultBonds -6.464924e-02 0.100000000
## 27         NumRotBonds -1.181905e-02 0.100000000
## 28           NumCarbon -1.200727e-01 0.100000000
## 29           NumOxygen  1.361853e-01 0.100000000
## 30           NumSulfer -9.001094e-02 0.100000000
## 31         NumChlorine -2.797318e-01 0.100000000
## 32   HydrophilicFactor  6.962934e-02 0.100000000
## 33        SurfaceArea1  5.353751e-03 0.100000000
## 34         (Intercept) -3.718579e-01 0.092857143
## 35               FP011  1.130368e-01 0.092857143
## 36               FP039 -2.297709e-01 0.092857143
## 37               FP040  3.430618e-01 0.092857143
## 38               FP043  1.720447e-01 0.092857143
## 39               FP044 -5.357459e-01 0.092857143
## 40               FP050 -1.783640e-02 0.092857143
## 41               FP059 -5.755062e-01 0.092857143
## 42               FP063  3.019887e-01 0.092857143
## 43               FP065 -7.349661e-03 0.092857143
## 44               FP072  4.549418e-01 0.092857143
## 45               FP073  3.915735e-02 0.092857143
## 46               FP074  1.257488e-01 0.092857143
## 47               FP080  1.058361e-02 0.092857143
## 48               FP084  6.620530e-02 0.092857143
## 49               FP094 -6.601857e-02 0.092857143
## 50               FP101  5.664569e-02 0.092857143
## 51               FP111 -1.578010e-01 0.092857143
## 52               FP124  1.317642e-02 0.092857143
## 53               FP135  2.545533e-01 0.092857143
## 54               FP142  3.472573e-01 0.092857143
## 55               FP147  7.035064e-02 0.092857143
## 56               FP172 -4.727007e-02 0.092857143
## 57               FP193 -2.015322e-02 0.092857143
## 58               FP204 -2.178314e-01 0.092857143
## 59               FP206 -2.376519e-01 0.092857143
## 60           MolWeight -7.081355e-03 0.092857143
## 61        NumMultBonds -6.437550e-02 0.092857143
## 62         NumRotBonds -1.511255e-02 0.092857143
## 63           NumCarbon -1.231343e-01 0.092857143
## 64           NumOxygen  1.441553e-01 0.092857143
## 65           NumSulfer -1.003553e-01 0.092857143
## 66         NumChlorine -2.813135e-01 0.092857143
## 67   HydrophilicFactor  6.339337e-02 0.092857143
## 68        SurfaceArea1  5.452633e-03 0.092857143
## 69         (Intercept) -3.571508e-01 0.085714286
## 70               FP011  1.166871e-01 0.085714286
## 71               FP039 -2.580387e-01 0.085714286
## 72               FP040  3.622515e-01 0.085714286
## 73               FP043  1.737865e-01 0.085714286
## 74               FP044 -5.257191e-01 0.085714286
## 75               FP050 -3.339418e-02 0.085714286
## 76               FP059 -5.687510e-01 0.085714286
## 77               FP063  3.205447e-01 0.085714286
## 78               FP065 -2.856697e-02 0.085714286
## 79               FP072  4.520420e-01 0.085714286
## 80               FP073  4.090430e-02 0.085714286
## 81               FP074  1.390302e-01 0.085714286
## 82               FP080  2.637619e-02 0.085714286
## 83               FP084  4.785299e-02 0.085714286
## 84               FP094 -7.253065e-02 0.085714286
## 85               FP101  8.492743e-02 0.085714286
## 86               FP111 -1.858933e-01 0.085714286
## 87               FP124  2.272689e-02 0.085714286
## 88               FP135  2.579232e-01 0.085714286
## 89               FP142  3.589459e-01 0.085714286
## 90               FP147  6.430378e-02 0.085714286
## 91               FP172 -4.978743e-02 0.085714286
## 92               FP193 -3.988739e-02 0.085714286
## 93               FP204 -2.107285e-01 0.085714286
## 94               FP206 -2.383225e-01 0.085714286
## 95           MolWeight -7.065474e-03 0.085714286
## 96        NumMultBonds -6.350604e-02 0.085714286
## 97         NumRotBonds -2.043475e-02 0.085714286
## 98           NumCarbon -1.254156e-01 0.085714286
## 99           NumOxygen  1.544943e-01 0.085714286
## 100          NumSulfer -1.089621e-01 0.085714286
## 101        NumChlorine -2.823861e-01 0.085714286
## 102  HydrophilicFactor  6.138092e-02 0.085714286
## 103       SurfaceArea1  5.412461e-03 0.085714286
## 104        (Intercept) -3.395183e-01 0.078571429
## 105              FP011  1.199983e-01 0.078571429
## 106              FP039 -2.928265e-01 0.078571429
## 107              FP040  3.764709e-01 0.078571429
## 108              FP043  1.815723e-01 0.078571429
## 109              FP044 -5.173907e-01 0.078571429
## 110              FP050 -4.930589e-02 0.078571429
## 111              FP059 -5.637861e-01 0.078571429
## 112              FP063  3.361535e-01 0.078571429
## 113              FP065 -4.728590e-02 0.078571429
## 114              FP072  4.520198e-01 0.078571429
## 115              FP073  3.906993e-02 0.078571429
## 116              FP074  1.510186e-01 0.078571429
## 117              FP080  3.716130e-02 0.078571429
## 118              FP084  2.536041e-02 0.078571429
## 119              FP085 -8.542523e-03 0.078571429
## 120              FP094 -8.010024e-02 0.078571429
## 121              FP101  1.100808e-01 0.078571429
## 122              FP111 -2.129343e-01 0.078571429
## 123              FP124  3.196486e-02 0.078571429
## 124              FP135  2.645333e-01 0.078571429
## 125              FP136  1.938608e-02 0.078571429
## 126              FP142  3.735829e-01 0.078571429
## 127              FP144  1.253312e-02 0.078571429
## 128              FP147  5.700626e-02 0.078571429
## 129              FP172 -4.890491e-02 0.078571429
## 130              FP193 -5.423432e-02 0.078571429
## 131              FP204 -2.047098e-01 0.078571429
## 132              FP206 -2.336323e-01 0.078571429
## 133          MolWeight -7.070576e-03 0.078571429
## 134       NumMultBonds -6.250082e-02 0.078571429
## 135        NumRotBonds -2.644084e-02 0.078571429
## 136          NumCarbon -1.273881e-01 0.078571429
## 137          NumOxygen  1.683261e-01 0.078571429
## 138          NumSulfer -1.161149e-01 0.078571429
## 139        NumChlorine -2.831982e-01 0.078571429
## 140  HydrophilicFactor  6.066941e-02 0.078571429
## 141       SurfaceArea1  5.198095e-03 0.078571429
## 142        (Intercept) -3.197541e-01 0.071428571
## 143              FP011  1.217466e-01 0.071428571
## 144              FP039 -3.404541e-01 0.071428571
## 145              FP040  3.846591e-01 0.071428571
## 146              FP043  1.969028e-01 0.071428571
## 147              FP044 -5.151434e-01 0.071428571
## 148              FP050 -6.319150e-02 0.071428571
## 149              FP059 -5.581628e-01 0.071428571
## 150              FP063  3.553649e-01 0.071428571
## 151              FP065 -6.500447e-02 0.071428571
## 152              FP072  4.518464e-01 0.071428571
## 153              FP073  3.844117e-02 0.071428571
## 154              FP074  1.606009e-01 0.071428571
## 155              FP080  4.204404e-02 0.071428571
## 156              FP084  3.329121e-03 0.071428571
## 157              FP085 -3.415589e-02 0.071428571
## 158              FP088  8.261133e-03 0.071428571
## 159              FP094 -8.494689e-02 0.071428571
## 160              FP101  1.257093e-01 0.071428571
## 161              FP111 -2.367807e-01 0.071428571
## 162              FP124  4.101093e-02 0.071428571
## 163              FP135  2.742918e-01 0.071428571
## 164              FP136  6.284928e-02 0.071428571
## 165              FP142  3.913531e-01 0.071428571
## 166              FP144  2.916019e-02 0.071428571
## 167              FP147  5.124397e-02 0.071428571
## 168              FP172 -4.397782e-02 0.071428571
## 169              FP175 -4.143477e-03 0.071428571
## 170              FP193 -5.834305e-02 0.071428571
## 171              FP204 -1.978455e-01 0.071428571
## 172              FP206 -2.252674e-01 0.071428571
## 173          MolWeight -7.051461e-03 0.071428571
## 174       NumMultBonds -6.052108e-02 0.071428571
## 175        NumRotBonds -3.366319e-02 0.071428571
## 176          NumCarbon -1.297973e-01 0.071428571
## 177          NumOxygen  1.893248e-01 0.071428571
## 178          NumSulfer -1.228854e-01 0.071428571
## 179        NumChlorine -2.846239e-01 0.071428571
## 180  HydrophilicFactor  6.404862e-02 0.071428571
## 181       SurfaceArea1  4.502612e-03 0.071428571
## 182        (Intercept) -3.014199e-01 0.064285714
## 183              FP011  1.232077e-01 0.064285714
## 184              FP039 -3.886375e-01 0.064285714
## 185              FP040  3.898240e-01 0.064285714
## 186              FP043  2.127945e-01 0.064285714
## 187              FP044 -5.129569e-01 0.064285714
## 188              FP050 -7.571731e-02 0.064285714
## 189              FP059 -5.506175e-01 0.064285714
## 190              FP063  3.747624e-01 0.064285714
## 191              FP065 -8.307027e-02 0.064285714
## 192              FP072  4.504257e-01 0.064285714
## 193              FP073  4.044325e-02 0.064285714
## 194              FP074  1.685612e-01 0.064285714
## 195              FP080  4.578509e-02 0.064285714
## 196              FP085 -5.898112e-02 0.064285714
## 197              FP088  2.357635e-02 0.064285714
## 198              FP094 -8.533839e-02 0.064285714
## 199              FP101  1.241352e-01 0.064285714
## 200              FP111 -2.593659e-01 0.064285714
## 201              FP124  5.210318e-02 0.064285714
## 202              FP135  2.835303e-01 0.064285714
## 203              FP136  1.043105e-01 0.064285714
## 204              FP142  4.083511e-01 0.064285714
## 205              FP144  4.436527e-02 0.064285714
## 206              FP147  4.636096e-02 0.064285714
## 207              FP172 -4.051800e-02 0.064285714
## 208              FP175 -1.945050e-02 0.064285714
## 209              FP193 -6.290487e-02 0.064285714
## 210              FP204 -1.822617e-01 0.064285714
## 211              FP206 -2.243206e-01 0.064285714
## 212          MolWeight -7.023576e-03 0.064285714
## 213       NumMultBonds -5.832603e-02 0.064285714
## 214        NumRotBonds -4.054741e-02 0.064285714
## 215          NumCarbon -1.324687e-01 0.064285714
## 216          NumOxygen  2.074563e-01 0.064285714
## 217          NumSulfer -1.309606e-01 0.064285714
## 218        NumChlorine -2.860542e-01 0.064285714
## 219  HydrophilicFactor  6.695251e-02 0.064285714
## 220       SurfaceArea1  3.882631e-03 0.064285714
## 221        (Intercept) -2.801441e-01 0.057142857
## 222              FP011  1.244841e-01 0.057142857
## 223              FP031  8.588105e-03 0.057142857
## 224              FP039 -4.358127e-01 0.057142857
## 225              FP040  3.936435e-01 0.057142857
## 226              FP043  2.282279e-01 0.057142857
## 227              FP044 -5.080471e-01 0.057142857
## 228              FP050 -9.046076e-02 0.057142857
## 229              FP059 -5.453804e-01 0.057142857
## 230              FP063  3.949558e-01 0.057142857
## 231              FP065 -1.000264e-01 0.057142857
## 232              FP072  4.493361e-01 0.057142857
## 233              FP073  4.387768e-02 0.057142857
## 234              FP074  1.765650e-01 0.057142857
## 235              FP080  4.849208e-02 0.057142857
## 236              FP081 -4.302426e-03 0.057142857
## 237              FP082 -6.778996e-03 0.057142857
## 238              FP085 -8.206980e-02 0.057142857
## 239              FP088  3.671822e-02 0.057142857
## 240              FP094 -8.725513e-02 0.057142857
## 241              FP101  1.182593e-01 0.057142857
## 242              FP111 -2.804924e-01 0.057142857
## 243              FP124  6.212748e-02 0.057142857
## 244              FP135  2.934756e-01 0.057142857
## 245              FP136  1.482473e-01 0.057142857
## 246              FP142  4.256392e-01 0.057142857
## 247              FP144  5.960671e-02 0.057142857
## 248              FP147  4.091676e-02 0.057142857
## 249              FP172 -3.606138e-02 0.057142857
## 250              FP175 -3.061318e-02 0.057142857
## 251              FP193 -6.924555e-02 0.057142857
## 252              FP204 -1.679344e-01 0.057142857
## 253              FP206 -2.224426e-01 0.057142857
## 254          MolWeight -7.013362e-03 0.057142857
## 255       NumMultBonds -5.647620e-02 0.057142857
## 256        NumRotBonds -4.738931e-02 0.057142857
## 257          NumCarbon -1.345083e-01 0.057142857
## 258          NumOxygen  2.249359e-01 0.057142857
## 259          NumSulfer -1.380403e-01 0.057142857
## 260        NumChlorine -2.874128e-01 0.057142857
## 261  HydrophilicFactor  6.940559e-02 0.057142857
## 262       SurfaceArea1  3.288934e-03 0.057142857
## 263        (Intercept) -2.596640e-01 0.050000000
## 264              FP011  1.228883e-01 0.050000000
## 265              FP031  3.073059e-02 0.050000000
## 266              FP039 -4.888230e-01 0.050000000
## 267              FP040  4.024265e-01 0.050000000
## 268              FP043  2.456394e-01 0.050000000
## 269              FP044 -5.027664e-01 0.050000000
## 270              FP050 -1.063566e-01 0.050000000
## 271              FP059 -5.425812e-01 0.050000000
## 272              FP063  4.118237e-01 0.050000000
## 273              FP065 -1.188143e-01 0.050000000
## 274              FP072  4.499620e-01 0.050000000
## 275              FP073  4.902732e-02 0.050000000
## 276              FP074  1.847267e-01 0.050000000
## 277              FP080  4.999907e-02 0.050000000
## 278              FP081 -3.828526e-02 0.050000000
## 279              FP082 -1.741777e-02 0.050000000
## 280              FP085 -1.037853e-01 0.050000000
## 281              FP088  5.026540e-02 0.050000000
## 282              FP094 -8.981361e-02 0.050000000
## 283              FP101  1.131469e-01 0.050000000
## 284              FP111 -2.929025e-01 0.050000000
## 285              FP122  3.677658e-03 0.050000000
## 286              FP124  7.411739e-02 0.050000000
## 287              FP126 -1.866345e-02 0.050000000
## 288              FP135  3.067137e-01 0.050000000
## 289              FP136  1.992684e-01 0.050000000
## 290              FP142  4.461168e-01 0.050000000
## 291              FP144  7.194054e-02 0.050000000
## 292              FP147  3.577098e-02 0.050000000
## 293              FP172 -2.907264e-02 0.050000000
## 294              FP175 -1.618487e-02 0.050000000
## 295              FP188  1.764204e-02 0.050000000
## 296              FP193 -7.832986e-02 0.050000000
## 297              FP198  7.235016e-03 0.050000000
## 298              FP202  1.642194e-02 0.050000000
## 299              FP204 -1.551142e-01 0.050000000
## 300              FP206 -2.190133e-01 0.050000000
## 301          MolWeight -7.010024e-03 0.050000000
## 302       NumMultBonds -5.630198e-02 0.050000000
## 303        NumRotBonds -5.565990e-02 0.050000000
## 304          NumCarbon -1.349149e-01 0.050000000
## 305          NumOxygen  2.402330e-01 0.050000000
## 306          NumSulfer -1.434578e-01 0.050000000
## 307        NumChlorine -2.886009e-01 0.050000000
## 308  HydrophilicFactor  7.299062e-02 0.050000000
## 309       SurfaceArea1  2.784984e-03 0.050000000
## 310        (Intercept) -2.571228e-01 0.042857143
## 311              FP011  1.200762e-01 0.042857143
## 312              FP031  5.591065e-02 0.042857143
## 313              FP039 -5.329651e-01 0.042857143
## 314              FP040  4.145243e-01 0.042857143
## 315              FP042  5.333060e-02 0.042857143
## 316              FP043  2.486819e-01 0.042857143
## 317              FP044 -4.930618e-01 0.042857143
## 318              FP050 -1.313101e-01 0.042857143
## 319              FP059 -5.255424e-01 0.042857143
## 320              FP063  4.271407e-01 0.042857143
## 321              FP065 -1.512658e-01 0.042857143
## 322              FP070 -1.220472e-02 0.042857143
## 323              FP072  4.583988e-01 0.042857143
## 324              FP073  5.011498e-02 0.042857143
## 325              FP074  1.995572e-01 0.042857143
## 326              FP080  5.008267e-02 0.042857143
## 327              FP081 -7.752406e-02 0.042857143
## 328              FP082 -2.980939e-02 0.042857143
## 329              FP085 -1.251162e-01 0.042857143
## 330              FP088  5.566097e-02 0.042857143
## 331              FP094 -8.519572e-02 0.042857143
## 332              FP101  1.417248e-01 0.042857143
## 333              FP111 -3.009387e-01 0.042857143
## 334              FP122  3.000247e-02 0.042857143
## 335              FP123 -1.231249e-02 0.042857143
## 336              FP124  9.414041e-02 0.042857143
## 337              FP126 -6.907599e-02 0.042857143
## 338              FP128 -2.577051e-02 0.042857143
## 339              FP135  3.230898e-01 0.042857143
## 340              FP136  2.276284e-01 0.042857143
## 341              FP142  4.773648e-01 0.042857143
## 342              FP144  6.275459e-02 0.042857143
## 343              FP145 -3.624882e-02 0.042857143
## 344              FP147  2.317509e-02 0.042857143
## 345              FP172 -1.192278e-02 0.042857143
## 346              FP175 -1.217289e-03 0.042857143
## 347              FP188  5.485992e-02 0.042857143
## 348              FP193 -8.863760e-02 0.042857143
## 349              FP198  3.657357e-02 0.042857143
## 350              FP202  6.573063e-02 0.042857143
## 351              FP204 -1.294232e-01 0.042857143
## 352              FP206 -2.285170e-01 0.042857143
## 353          MolWeight -6.875586e-03 0.042857143
## 354       NumMultBonds -5.788016e-02 0.042857143
## 355        NumRotBonds -6.679039e-02 0.042857143
## 356          NumCarbon -1.363637e-01 0.042857143
## 357          NumOxygen  2.528467e-01 0.042857143
## 358          NumSulfer -1.566373e-01 0.042857143
## 359        NumChlorine -2.888643e-01 0.042857143
## 360  HydrophilicFactor  6.914221e-02 0.042857143
## 361       SurfaceArea1  2.913126e-03 0.042857143
## 362        (Intercept) -2.528885e-01 0.035714286
## 363              FP011  1.332443e-01 0.035714286
## 364              FP026  2.877465e-02 0.035714286
## 365              FP031  7.760576e-02 0.035714286
## 366              FP033  5.837708e-02 0.035714286
## 367              FP037  1.899868e-02 0.035714286
## 368              FP039 -5.634818e-01 0.035714286
## 369              FP040  4.364179e-01 0.035714286
## 370              FP042  1.147076e-01 0.035714286
## 371              FP043  2.494900e-01 0.035714286
## 372              FP044 -4.694914e-01 0.035714286
## 373              FP050 -1.582684e-01 0.035714286
## 374              FP059 -5.171801e-01 0.035714286
## 375              FP063  4.560173e-01 0.035714286
## 376              FP065 -1.820842e-01 0.035714286
## 377              FP070 -1.599409e-02 0.035714286
## 378              FP072  4.611666e-01 0.035714286
## 379              FP073  3.685717e-02 0.035714286
## 380              FP074  2.018487e-01 0.035714286
## 381              FP080  4.717439e-02 0.035714286
## 382              FP081 -1.188437e-01 0.035714286
## 383              FP082 -4.455801e-02 0.035714286
## 384              FP085 -1.519301e-01 0.035714286
## 385              FP088  6.382189e-02 0.035714286
## 386              FP094 -7.617012e-02 0.035714286
## 387              FP101  1.777050e-01 0.035714286
## 388              FP111 -3.162274e-01 0.035714286
## 389              FP122  5.309756e-02 0.035714286
## 390              FP123 -3.808427e-02 0.035714286
## 391              FP124  1.148150e-01 0.035714286
## 392              FP126 -1.080436e-01 0.035714286
## 393              FP128 -5.802384e-02 0.035714286
## 394              FP135  3.295081e-01 0.035714286
## 395              FP136  2.453408e-01 0.035714286
## 396              FP142  5.074407e-01 0.035714286
## 397              FP144  6.347251e-02 0.035714286
## 398              FP145 -9.315079e-02 0.035714286
## 399              FP147  1.237573e-02 0.035714286
## 400              FP148 -3.142070e-02 0.035714286
## 401              FP154 -9.511272e-03 0.035714286
## 402              FP172 -1.270730e-02 0.035714286
## 403              FP188  9.060169e-02 0.035714286
## 404              FP193 -9.977818e-02 0.035714286
## 405              FP198  5.805191e-02 0.035714286
## 406              FP202  1.288494e-01 0.035714286
## 407              FP204 -1.032630e-01 0.035714286
## 408              FP206 -2.312621e-01 0.035714286
## 409              FP207  5.774350e-02 0.035714286
## 410          MolWeight -6.714781e-03 0.035714286
## 411       NumMultBonds -6.221605e-02 0.035714286
## 412        NumRotBonds -7.616744e-02 0.035714286
## 413          NumCarbon -1.383610e-01 0.035714286
## 414          NumOxygen  2.691742e-01 0.035714286
## 415          NumSulfer -1.749552e-01 0.035714286
## 416        NumChlorine -2.876645e-01 0.035714286
## 417  HydrophilicFactor  6.221046e-02 0.035714286
## 418       SurfaceArea1  3.151803e-03 0.035714286
## 419        (Intercept) -2.501279e-01 0.028571429
## 420              FP011  1.378069e-01 0.028571429
## 421              FP026  7.739699e-02 0.028571429
## 422              FP031  9.922952e-02 0.028571429
## 423              FP033  1.327981e-01 0.028571429
## 424              FP034 -3.380669e-02 0.028571429
## 425              FP036 -2.585008e-03 0.028571429
## 426              FP037  6.747510e-02 0.028571429
## 427              FP039 -5.940920e-01 0.028571429
## 428              FP040  4.655161e-01 0.028571429
## 429              FP042  1.601806e-01 0.028571429
## 430              FP043  2.475131e-01 0.028571429
## 431              FP044 -4.397917e-01 0.028571429
## 432              FP050 -1.813260e-01 0.028571429
## 433              FP059 -5.143739e-01 0.028571429
## 434              FP063  4.952755e-01 0.028571429
## 435              FP065 -1.981171e-01 0.028571429
## 436              FP070 -2.224030e-02 0.028571429
## 437              FP072  4.717597e-01 0.028571429
## 438              FP073  2.012152e-02 0.028571429
## 439              FP074  1.934655e-01 0.028571429
## 440              FP080  4.846341e-02 0.028571429
## 441              FP081 -1.681745e-01 0.028571429
## 442              FP082 -4.879167e-02 0.028571429
## 443              FP085 -1.801925e-01 0.028571429
## 444              FP087 -1.972937e-04 0.028571429
## 445              FP088  7.472001e-02 0.028571429
## 446              FP094 -6.102709e-02 0.028571429
## 447              FP098 -9.723119e-03 0.028571429
## 448              FP101  2.125516e-01 0.028571429
## 449              FP102  2.020772e-02 0.028571429
## 450              FP111 -3.482184e-01 0.028571429
## 451              FP122  8.157156e-02 0.028571429
## 452              FP123 -5.582588e-02 0.028571429
## 453              FP124  1.381134e-01 0.028571429
## 454              FP126 -1.536557e-01 0.028571429
## 455              FP128 -8.886418e-02 0.028571429
## 456              FP135  3.139424e-01 0.028571429
## 457              FP136  2.487672e-01 0.028571429
## 458              FP138  1.193291e-02 0.028571429
## 459              FP142  5.198314e-01 0.028571429
## 460              FP144  6.721153e-02 0.028571429
## 461              FP145 -1.524779e-01 0.028571429
## 462              FP147  9.733447e-03 0.028571429
## 463              FP148 -6.896168e-02 0.028571429
## 464              FP154 -5.806013e-02 0.028571429
## 465              FP159  5.772718e-02 0.028571429
## 466              FP166  1.478550e-02 0.028571429
## 467              FP168 -3.305834e-02 0.028571429
## 468              FP171  6.281555e-03 0.028571429
## 469              FP172 -2.310248e-02 0.028571429
## 470              FP187  2.220438e-02 0.028571429
## 471              FP188  1.250827e-01 0.028571429
## 472              FP193 -1.123471e-01 0.028571429
## 473              FP198  7.291610e-02 0.028571429
## 474              FP202  1.927107e-01 0.028571429
## 475              FP204 -8.598326e-02 0.028571429
## 476              FP206 -2.280575e-01 0.028571429
## 477              FP207  1.448894e-01 0.028571429
## 478          MolWeight -6.522770e-03 0.028571429
## 479       NumMultBonds -6.676401e-02 0.028571429
## 480        NumRotBonds -8.454863e-02 0.028571429
## 481          NumCarbon -1.416245e-01 0.028571429
## 482          NumOxygen  2.785452e-01 0.028571429
## 483          NumSulfer -2.118510e-01 0.028571429
## 484        NumChlorine -2.858888e-01 0.028571429
## 485  HydrophilicFactor  5.264146e-02 0.028571429
## 486       SurfaceArea1  3.845632e-03 0.028571429
## 487        (Intercept) -2.585675e-01 0.021428571
## 488              FP002  3.299142e-03 0.021428571
## 489              FP011  1.149855e-01 0.021428571
## 490              FP021  7.678508e-03 0.021428571
## 491              FP026  1.255789e-01 0.021428571
## 492              FP029 -4.507956e-03 0.021428571
## 493              FP031  1.307108e-01 0.021428571
## 494              FP033  1.816229e-01 0.021428571
## 495              FP034 -8.403523e-02 0.021428571
## 496              FP036 -1.096302e-02 0.021428571
## 497              FP037  9.532706e-02 0.021428571
## 498              FP039 -6.254626e-01 0.021428571
## 499              FP040  5.164670e-01 0.021428571
## 500              FP042  2.076275e-01 0.021428571
## 501              FP043  2.423399e-01 0.021428571
## 502              FP044 -3.912145e-01 0.021428571
## 503              FP050 -1.928683e-01 0.021428571
## 504              FP053  9.196832e-04 0.021428571
## 505              FP059 -5.029331e-01 0.021428571
## 506              FP063  5.445375e-01 0.021428571
## 507              FP064  7.128256e-03 0.021428571
## 508              FP065 -1.957055e-01 0.021428571
## 509              FP070 -3.058371e-02 0.021428571
## 510              FP072  5.030015e-01 0.021428571
## 511              FP073  1.751753e-02 0.021428571
## 512              FP074  1.776686e-01 0.021428571
## 513              FP075  3.523145e-02 0.021428571
## 514              FP080  4.633420e-02 0.021428571
## 515              FP081 -2.151368e-01 0.021428571
## 516              FP082 -6.004156e-02 0.021428571
## 517              FP083 -2.205743e-03 0.021428571
## 518              FP085 -2.018236e-01 0.021428571
## 519              FP087 -5.278209e-02 0.021428571
## 520              FP088  9.445162e-02 0.021428571
## 521              FP091  3.045936e-02 0.021428571
## 522              FP094 -5.438110e-02 0.021428571
## 523              FP098 -7.881448e-02 0.021428571
## 524              FP101  2.291485e-01 0.021428571
## 525              FP102  3.062525e-02 0.021428571
## 526              FP103 -2.522121e-02 0.021428571
## 527              FP111 -4.118049e-01 0.021428571
## 528              FP122  1.146995e-01 0.021428571
## 529              FP123 -6.724518e-02 0.021428571
## 530              FP124  1.684072e-01 0.021428571
## 531              FP126 -2.091688e-01 0.021428571
## 532              FP128 -1.472119e-01 0.021428571
## 533              FP133 -9.618722e-03 0.021428571
## 534              FP135  2.934004e-01 0.021428571
## 535              FP136  2.731027e-01 0.021428571
## 536              FP138  4.344512e-02 0.021428571
## 537              FP142  5.090932e-01 0.021428571
## 538              FP144  6.322195e-02 0.021428571
## 539              FP145 -2.178625e-01 0.021428571
## 540              FP148 -1.121456e-01 0.021428571
## 541              FP154 -1.220748e-01 0.021428571
## 542              FP157 -2.296144e-02 0.021428571
## 543              FP159  9.582290e-02 0.021428571
## 544              FP166  5.766943e-02 0.021428571
## 545              FP168 -3.732095e-02 0.021428571
## 546              FP171  4.429942e-02 0.021428571
## 547              FP172 -2.917055e-02 0.021428571
## 548              FP176  9.715423e-04 0.021428571
## 549              FP187  6.903495e-02 0.021428571
## 550              FP188  1.686763e-01 0.021428571
## 551              FP193 -1.323497e-01 0.021428571
## 552              FP198  8.243416e-02 0.021428571
## 553              FP201 -7.712948e-02 0.021428571
## 554              FP202  2.348757e-01 0.021428571
## 555              FP203  9.457365e-05 0.021428571
## 556              FP204 -6.134821e-02 0.021428571
## 557              FP206 -2.082113e-01 0.021428571
## 558              FP207  2.263021e-01 0.021428571
## 559          MolWeight -6.342837e-03 0.021428571
## 560       NumMultBonds -7.247661e-02 0.021428571
## 561        NumRotBonds -9.796938e-02 0.021428571
## 562          NumCarbon -1.435915e-01 0.021428571
## 563          NumOxygen  2.962014e-01 0.021428571
## 564          NumSulfer -2.447435e-01 0.021428571
## 565        NumChlorine -2.862328e-01 0.021428571
## 566  HydrophilicFactor  3.494592e-02 0.021428571
## 567       SurfaceArea1  4.888368e-03 0.021428571
## 568        (Intercept) -2.236523e-01 0.014285714
## 569              FP002  6.560111e-03 0.014285714
## 570              FP004 -6.777543e-02 0.014285714
## 571              FP007 -2.359994e-02 0.014285714
## 572              FP011  5.279423e-02 0.014285714
## 573              FP015 -4.224957e-02 0.014285714
## 574              FP021  2.372095e-02 0.014285714
## 575              FP023 -2.962904e-02 0.014285714
## 576              FP026  1.861405e-01 0.014285714
## 577              FP029 -1.092416e-02 0.014285714
## 578              FP031  1.665278e-01 0.014285714
## 579              FP033  2.214496e-01 0.014285714
## 580              FP034 -1.330258e-01 0.014285714
## 581              FP036 -7.701900e-04 0.014285714
## 582              FP037  1.360463e-01 0.014285714
## 583              FP039 -6.022653e-01 0.014285714
## 584              FP040  5.426783e-01 0.014285714
## 585              FP042  1.959397e-01 0.014285714
## 586              FP043  2.596437e-01 0.014285714
## 587              FP044 -3.473143e-01 0.014285714
## 588              FP049  1.687216e-02 0.014285714
## 589              FP050 -2.030930e-01 0.014285714
## 590              FP053  6.469186e-02 0.014285714
## 591              FP059 -4.477461e-01 0.014285714
## 592              FP063  6.668877e-01 0.014285714
## 593              FP064  7.766908e-02 0.014285714
## 594              FP065 -2.291393e-01 0.014285714
## 595              FP070 -3.568270e-02 0.014285714
## 596              FP072  6.034191e-01 0.014285714
## 597              FP074  1.655694e-01 0.014285714
## 598              FP075  9.316991e-02 0.014285714
## 599              FP080  1.854504e-02 0.014285714
## 600              FP081 -2.530831e-01 0.014285714
## 601              FP082 -5.696751e-02 0.014285714
## 602              FP083 -7.332446e-02 0.014285714
## 603              FP085 -2.335606e-01 0.014285714
## 604              FP087 -1.200021e-01 0.014285714
## 605              FP088  1.069708e-01 0.014285714
## 606              FP089  2.067506e-02 0.014285714
## 607              FP091  1.085957e-01 0.014285714
## 608              FP094 -8.526664e-02 0.014285714
## 609              FP098 -1.307565e-01 0.014285714
## 610              FP099  5.206083e-02 0.014285714
## 611              FP100 -5.416419e-02 0.014285714
## 612              FP101  2.134737e-01 0.014285714
## 613              FP103 -6.677055e-02 0.014285714
## 614              FP104 -2.859557e-02 0.014285714
## 615              FP109  7.586823e-02 0.014285714
## 616              FP111 -4.594103e-01 0.014285714
## 617              FP113  2.091626e-02 0.014285714
## 618              FP122  1.393103e-01 0.014285714
## 619              FP123 -8.113074e-02 0.014285714
## 620              FP124  2.196920e-01 0.014285714
## 621              FP126 -2.947089e-01 0.014285714
## 622              FP128 -1.818642e-01 0.014285714
## 623              FP131  6.115139e-02 0.014285714
## 624              FP133 -8.751558e-02 0.014285714
## 625              FP135  2.733440e-01 0.014285714
## 626              FP136  2.657113e-01 0.014285714
## 627              FP138  6.137282e-02 0.014285714
## 628              FP142  5.152687e-01 0.014285714
## 629              FP144  1.298104e-01 0.014285714
## 630              FP145 -2.660677e-01 0.014285714
## 631              FP148 -1.654685e-01 0.014285714
## 632              FP149  9.169972e-03 0.014285714
## 633              FP154 -2.316905e-01 0.014285714
## 634              FP155  1.406391e-02 0.014285714
## 635              FP157 -4.673377e-02 0.014285714
## 636              FP159  1.353308e-01 0.014285714
## 637              FP161 -6.478305e-02 0.014285714
## 638              FP164  1.101384e-01 0.014285714
## 639              FP166  6.349399e-02 0.014285714
## 640              FP168 -7.801538e-02 0.014285714
## 641              FP171  1.073294e-01 0.014285714
## 642              FP172 -1.139548e-01 0.014285714
## 643              FP173  5.767917e-02 0.014285714
## 644              FP176  7.819678e-02 0.014285714
## 645              FP180 -2.914466e-03 0.014285714
## 646              FP184  1.108567e-01 0.014285714
## 647              FP186 -2.804234e-02 0.014285714
## 648              FP187  1.015557e-01 0.014285714
## 649              FP188  1.833661e-01 0.014285714
## 650              FP191  6.664619e-02 0.014285714
## 651              FP193 -1.336933e-01 0.014285714
## 652              FP196  3.285909e-02 0.014285714
## 653              FP198  6.181275e-03 0.014285714
## 654              FP201 -2.409674e-01 0.014285714
## 655              FP202  2.922776e-01 0.014285714
## 656              FP203  7.571599e-03 0.014285714
## 657              FP204 -1.927114e-02 0.014285714
## 658              FP206 -1.539656e-01 0.014285714
## 659              FP207  2.568312e-01 0.014285714
## 660          MolWeight -6.323653e-03 0.014285714
## 661       NumMultBonds -7.816035e-02 0.014285714
## 662        NumRotBonds -1.149851e-01 0.014285714
## 663   NumAromaticBonds -4.618011e-03 0.014285714
## 664          NumCarbon -1.475879e-01 0.014285714
## 665          NumOxygen  3.287764e-01 0.014285714
## 666          NumSulfer -2.674115e-01 0.014285714
## 667        NumChlorine -2.841235e-01 0.014285714
## 668  HydrophilicFactor  2.976591e-02 0.014285714
## 669       SurfaceArea1  5.414577e-03 0.014285714
## 670        (Intercept) -4.840529e-02 0.007142857
## 671              FP002  7.416933e-03 0.007142857
## 672              FP004 -2.272525e-01 0.007142857
## 673              FP007 -8.897261e-02 0.007142857
## 674              FP011  4.255955e-04 0.007142857
## 675              FP015 -1.476177e-01 0.007142857
## 676              FP017 -9.388393e-02 0.007142857
## 677              FP021  3.008015e-03 0.007142857
## 678              FP023 -2.270684e-01 0.007142857
## 679              FP024 -5.748382e-02 0.007142857
## 680              FP026  2.669359e-01 0.007142857
## 681              FP027  5.042784e-02 0.007142857
## 682              FP031  1.740764e-01 0.007142857
## 683              FP033  2.628659e-01 0.007142857
## 684              FP034 -1.969161e-01 0.007142857
## 685              FP037  1.384170e-01 0.007142857
## 686              FP039 -6.089259e-01 0.007142857
## 687              FP040  5.717429e-01 0.007142857
## 688              FP042  1.850620e-01 0.007142857
## 689              FP043  2.819073e-01 0.007142857
## 690              FP044 -3.592500e-01 0.007142857
## 691              FP045  8.711405e-03 0.007142857
## 692              FP049  4.999545e-02 0.007142857
## 693              FP050 -1.941774e-01 0.007142857
## 694              FP053  7.900067e-02 0.007142857
## 695              FP057 -4.517379e-03 0.007142857
## 696              FP059 -3.711621e-01 0.007142857
## 697              FP061 -2.047328e-02 0.007142857
## 698              FP063  7.506803e-01 0.007142857
## 699              FP064  1.600156e-01 0.007142857
## 700              FP065 -2.566642e-01 0.007142857
## 701              FP067 -1.032825e-03 0.007142857
## 702              FP070 -5.491292e-03 0.007142857
## 703              FP071  1.267616e-02 0.007142857
## 704              FP072  6.808552e-01 0.007142857
## 705              FP074  1.955437e-01 0.007142857
## 706              FP075  1.553432e-01 0.007142857
## 707              FP076  8.609822e-02 0.007142857
## 708              FP078 -5.781221e-02 0.007142857
## 709              FP080  3.174632e-03 0.007142857
## 710              FP081 -2.519396e-01 0.007142857
## 711              FP082 -7.108032e-02 0.007142857
## 712              FP083 -1.581886e-01 0.007142857
## 713              FP084  1.089961e-01 0.007142857
## 714              FP085 -2.604273e-01 0.007142857
## 715              FP087 -1.679384e-01 0.007142857
## 716              FP088  1.147469e-01 0.007142857
## 717              FP089  2.112364e-01 0.007142857
## 718              FP090 -2.190608e-02 0.007142857
## 719              FP091  1.404706e-01 0.007142857
## 720              FP093  3.783573e-03 0.007142857
## 721              FP094 -1.177252e-01 0.007142857
## 722              FP096 -9.764642e-02 0.007142857
## 723              FP098 -1.770563e-01 0.007142857
## 724              FP099  9.283419e-02 0.007142857
## 725              FP100 -1.885064e-01 0.007142857
## 726              FP101  9.024958e-02 0.007142857
## 727              FP103 -1.308763e-01 0.007142857
## 728              FP104 -8.518825e-02 0.007142857
## 729              FP109  1.854369e-01 0.007142857
## 730              FP111 -4.688714e-01 0.007142857
## 731              FP113  7.007630e-02 0.007142857
## 732              FP115 -4.505439e-02 0.007142857
## 733              FP119  2.151165e-02 0.007142857
## 734              FP121 -3.741719e-03 0.007142857
## 735              FP122  1.573947e-01 0.007142857
## 736              FP123 -9.651102e-02 0.007142857
## 737              FP124  2.762595e-01 0.007142857
## 738              FP125 -1.466633e-02 0.007142857
## 739              FP126 -4.071108e-01 0.007142857
## 740              FP127 -9.077343e-02 0.007142857
## 741              FP128 -1.349133e-01 0.007142857
## 742              FP131  1.398212e-01 0.007142857
## 743              FP133 -1.767372e-01 0.007142857
## 744              FP135  2.376866e-01 0.007142857
## 745              FP136  2.881411e-01 0.007142857
## 746              FP138  8.212673e-02 0.007142857
## 747              FP141 -3.319627e-02 0.007142857
## 748              FP142  4.978119e-01 0.007142857
## 749              FP143  1.273651e-02 0.007142857
## 750              FP144  1.670404e-01 0.007142857
## 751              FP145 -3.036441e-01 0.007142857
## 752              FP147  2.591783e-02 0.007142857
## 753              FP148 -1.890247e-01 0.007142857
## 754              FP149  3.433314e-03 0.007142857
## 755              FP150  4.885779e-02 0.007142857
## 756              FP152 -1.099726e-02 0.007142857
## 757              FP154 -4.008574e-01 0.007142857
## 758              FP155  5.003473e-02 0.007142857
## 759              FP157 -1.469327e-01 0.007142857
## 760              FP159  1.920545e-01 0.007142857
## 761              FP161 -1.765881e-01 0.007142857
## 762              FP163  1.294201e-01 0.007142857
## 763              FP164  3.186619e-01 0.007142857
## 764              FP166  2.288300e-02 0.007142857
## 765              FP167 -2.550930e-02 0.007142857
## 766              FP168 -9.570016e-02 0.007142857
## 767              FP169 -2.503982e-02 0.007142857
## 768              FP171  2.101322e-01 0.007142857
## 769              FP172 -2.444949e-01 0.007142857
## 770              FP173  2.206694e-01 0.007142857
## 771              FP174 -8.265445e-02 0.007142857
## 772              FP176  1.811475e-01 0.007142857
## 773              FP181  1.518448e-01 0.007142857
## 774              FP184  2.900161e-01 0.007142857
## 775              FP185 -3.403444e-02 0.007142857
## 776              FP186 -9.827892e-02 0.007142857
## 777              FP187  1.647529e-01 0.007142857
## 778              FP188  1.677569e-01 0.007142857
## 779              FP190  8.800316e-02 0.007142857
## 780              FP191  1.870037e-01 0.007142857
## 781              FP193 -1.309941e-01 0.007142857
## 782              FP196  5.526032e-02 0.007142857
## 783              FP201 -4.535246e-01 0.007142857
## 784              FP202  3.495258e-01 0.007142857
## 785              FP203  9.452524e-03 0.007142857
## 786              FP206 -8.550425e-02 0.007142857
## 787              FP207  2.105808e-01 0.007142857
## 788          MolWeight -6.542227e-03 0.007142857
## 789       NumMultBonds -8.833453e-03 0.007142857
## 790        NumRotBonds -1.254102e-01 0.007142857
## 791   NumAromaticBonds -1.013286e-01 0.007142857
## 792          NumCarbon -1.582167e-01 0.007142857
## 793        NumNitrogen  1.049869e-01 0.007142857
## 794          NumOxygen  4.320034e-01 0.007142857
## 795          NumSulfer -3.103672e-01 0.007142857
## 796        NumChlorine -2.976249e-01 0.007142857
## 797  HydrophilicFactor  5.203536e-02 0.007142857
## 798       SurfaceArea1  5.275524e-04 0.007142857
## 799        (Intercept)  2.193394e-02 0.000000000
## 800              FP001  1.426938e-01 0.000000000
## 801              FP002  1.315358e-01 0.000000000
## 802              FP003 -1.215428e-01 0.000000000
## 803              FP004 -4.422922e-01 0.000000000
## 804              FP005 -3.663077e-01 0.000000000
## 805              FP006  2.293197e-02 0.000000000
## 806              FP007 -9.161811e-02 0.000000000
## 807              FP008  2.258809e-02 0.000000000
## 808              FP009 -6.557791e-01 0.000000000
## 809              FP010  6.402225e-01 0.000000000
## 810              FP011  1.612968e-01 0.000000000
## 811              FP012 -1.369662e-01 0.000000000
## 812              FP013 -2.844289e-01 0.000000000
## 813              FP014  3.663097e-01 0.000000000
## 814              FP015 -4.071235e-01 0.000000000
## 815              FP016  4.316795e-02 0.000000000
## 816              FP017 -1.822960e-01 0.000000000
## 817              FP018 -5.026556e-01 0.000000000
## 818              FP019  6.385465e-02 0.000000000
## 819              FP020 -1.460801e-02 0.000000000
## 820              FP021  1.668459e-01 0.000000000
## 821              FP022 -8.230674e-02 0.000000000
## 822              FP023 -4.362278e-01 0.000000000
## 823              FP024 -5.330632e-01 0.000000000
## 824              FP025  1.662632e-01 0.000000000
## 825              FP026  3.343223e-01 0.000000000
## 826              FP027  3.276822e-02 0.000000000
## 827              FP028  6.421738e-02 0.000000000
## 828              FP029 -3.338057e-02 0.000000000
## 829              FP030 -2.000707e-01 0.000000000
## 830              FP031  2.187396e-01 0.000000000
## 831              FP032 -1.426084e+00 0.000000000
## 832              FP033  8.727537e-01 0.000000000
## 833              FP034 -3.613395e-01 0.000000000
## 834              FP035 -1.846349e-01 0.000000000
## 835              FP036 -2.198102e-02 0.000000000
## 836              FP037  5.665606e-02 0.000000000
## 837              FP038  2.322798e-01 0.000000000
## 838              FP039 -2.016608e-01 0.000000000
## 839              FP040  6.274271e-01 0.000000000
## 840              FP041 -2.269222e-01 0.000000000
## 841              FP042 -6.064338e-02 0.000000000
## 842              FP043  5.016250e-01 0.000000000
## 843              FP044 -4.288310e-01 0.000000000
## 844              FP045  1.295733e-01 0.000000000
## 845              FP046 -1.044080e-01 0.000000000
## 846              FP047  5.267355e-02 0.000000000
## 847              FP048  3.172054e-01 0.000000000
## 848              FP049  2.280204e-02 0.000000000
## 849              FP050 -1.472763e-01 0.000000000
## 850              FP051  2.577212e-01 0.000000000
## 851              FP052 -2.016823e-01 0.000000000
## 852              FP053  1.906548e-01 0.000000000
## 853              FP054 -2.777215e-02 0.000000000
## 854              FP055 -2.609467e-01 0.000000000
## 855              FP056 -2.743769e-01 0.000000000
## 856              FP057 -3.599286e-02 0.000000000
## 857              FP058 -1.021090e-02 0.000000000
## 858              FP059 -1.379361e-01 0.000000000
## 859              FP060  2.825060e-01 0.000000000
## 860              FP061 -5.850726e-02 0.000000000
## 861              FP062 -2.051520e-01 0.000000000
## 862              FP063  9.876895e-01 0.000000000
## 863              FP064  2.442325e-01 0.000000000
## 864              FP065 -2.264458e-01 0.000000000
## 865              FP066  1.970927e-01 0.000000000
## 866              FP067 -2.281091e-01 0.000000000
## 867              FP068  2.090221e-01 0.000000000
## 868              FP069 -3.510772e-02 0.000000000
## 869              FP070  3.879796e-02 0.000000000
## 870              FP071  1.690978e-01 0.000000000
## 871              FP072  7.506375e-01 0.000000000
## 872              FP073 -5.842311e-01 0.000000000
## 873              FP074  2.432155e-01 0.000000000
## 874              FP075  1.845315e-01 0.000000000
## 875              FP076  4.378716e-01 0.000000000
## 876              FP077  4.354981e-02 0.000000000
## 877              FP078 -2.996296e-01 0.000000000
## 878              FP079  5.220711e-01 0.000000000
## 879              FP080  1.564958e-01 0.000000000
## 880              FP081 -4.076971e-01 0.000000000
## 881              FP082 -9.870463e-02 0.000000000
## 882              FP083 -5.185753e-01 0.000000000
## 883              FP084  4.156791e-01 0.000000000
## 884              FP085 -4.341502e-01 0.000000000
## 885              FP086 -1.211018e-02 0.000000000
## 886              FP087 -4.745265e-01 0.000000000
## 887              FP088  2.588030e-01 0.000000000
## 888              FP089  2.720341e-01 0.000000000
## 889              FP090 -1.843800e-01 0.000000000
## 890              FP091  2.856238e-01 0.000000000
## 891              FP092  7.015352e-02 0.000000000
## 892              FP093  2.288643e-01 0.000000000
## 893              FP094 -2.287547e-01 0.000000000
## 894              FP095  3.027278e-03 0.000000000
## 895              FP096 -2.420300e-01 0.000000000
## 896              FP097 -3.996047e-01 0.000000000
## 897              FP098 -2.705740e-01 0.000000000
## 898              FP099  3.022182e-02 0.000000000
## 899              FP100 -5.027921e-01 0.000000000
## 900              FP101 -2.018091e-01 0.000000000
## 901              FP102  2.205234e-02 0.000000000
## 902              FP103 -1.704848e-01 0.000000000
## 903              FP104 -2.016366e-01 0.000000000
## 904              FP105 -1.585791e-01 0.000000000
## 905              FP106 -5.600092e-02 0.000000000
## 906              FP107  3.998103e-01 0.000000000
## 907              FP108 -1.765679e-01 0.000000000
## 908              FP109  7.269407e-01 0.000000000
## 909              FP110  3.000279e-01 0.000000000
## 910              FP111 -6.332609e-01 0.000000000
## 911              FP112  1.714558e-01 0.000000000
## 912              FP113  1.466016e-01 0.000000000
## 913              FP114 -6.325002e-02 0.000000000
## 914              FP115 -2.730606e-01 0.000000000
## 915              FP116 -7.734871e-02 0.000000000
## 916              FP117  3.593067e-01 0.000000000
## 917              FP118 -1.754616e-01 0.000000000
## 918              FP119  4.301017e-01 0.000000000
## 919              FP120 -1.238336e-01 0.000000000
## 920              FP121 -1.092087e-01 0.000000000
## 921              FP122  1.674903e-01 0.000000000
## 922              FP123 -6.601839e-02 0.000000000
## 923              FP124  2.214294e-01 0.000000000
## 924              FP125 -6.228919e-02 0.000000000
## 925              FP126 -5.517763e-01 0.000000000
## 926              FP127 -4.660884e-01 0.000000000
## 927              FP128 -2.192147e-01 0.000000000
## 928              FP129 -8.783064e-02 0.000000000
## 929              FP130 -4.574907e-01 0.000000000
## 930              FP131  1.959198e-01 0.000000000
## 931              FP132 -9.527640e-02 0.000000000
## 932              FP133 -2.825513e-01 0.000000000
## 933              FP134 -7.027954e-02 0.000000000
## 934              FP135  2.285841e-01 0.000000000
## 935              FP136  7.952941e-02 0.000000000
## 936              FP137 -2.815941e-01 0.000000000
## 937              FP138 -3.236285e-02 0.000000000
## 938              FP139 -2.880371e-01 0.000000000
## 939              FP140  1.297168e-01 0.000000000
## 940              FP141  1.877108e-01 0.000000000
## 941              FP142  6.563189e-01 0.000000000
## 942              FP143  7.239051e-01 0.000000000
## 943              FP144  4.605315e-01 0.000000000
## 944              FP145 -3.940787e-01 0.000000000
## 945              FP146 -1.204607e-01 0.000000000
## 946              FP147  1.768744e-01 0.000000000
## 947              FP148 -2.436589e-01 0.000000000
## 948              FP149 -4.346940e-02 0.000000000
## 949              FP150  7.459588e-02 0.000000000
## 950              FP151  2.605032e-01 0.000000000
## 951              FP152 -3.217999e-01 0.000000000
## 952              FP153 -1.958607e-04 0.000000000
## 953              FP154 -7.972811e-01 0.000000000
## 954              FP155  1.792845e-01 0.000000000
## 955              FP156 -3.434984e-01 0.000000000
## 956              FP157 -5.585370e-01 0.000000000
## 957              FP158  2.615889e-01 0.000000000
## 958              FP159  2.542633e-01 0.000000000
## 959              FP160  6.618558e-02 0.000000000
## 960              FP161 -3.725504e-01 0.000000000
## 961              FP162 -4.538688e-03 0.000000000
## 962              FP163  4.583467e-01 0.000000000
## 963              FP164  6.127707e-01 0.000000000
## 964              FP165  3.809326e-01 0.000000000
## 965              FP166 -3.797987e-02 0.000000000
## 966              FP167 -5.899706e-01 0.000000000
## 967              FP168 -5.950350e-02 0.000000000
## 968              FP169 -7.645834e-02 0.000000000
## 969              FP170 -1.937327e-01 0.000000000
## 970              FP171  3.752506e-01 0.000000000
## 971              FP172 -3.243283e-01 0.000000000
## 972              FP173  4.620550e-01 0.000000000
## 973              FP174 -1.828414e-01 0.000000000
## 974              FP175  7.121533e-02 0.000000000
## 975              FP176  6.368830e-01 0.000000000
## 976              FP177 -7.113324e-02 0.000000000
## 977              FP178  3.152931e-01 0.000000000
## 978              FP179 -1.288382e-01 0.000000000
## 979              FP180 -5.108862e-01 0.000000000
## 980              FP181  5.248522e-01 0.000000000
## 981              FP182  6.964773e-02 0.000000000
## 982              FP183  4.981912e-01 0.000000000
## 983              FP184  3.835461e-01 0.000000000
## 984              FP185 -2.236324e-01 0.000000000
## 985              FP186 -1.850823e-01 0.000000000
## 986              FP187  6.630222e-01 0.000000000
## 987              FP188  1.766957e-01 0.000000000
## 988              FP189 -3.784421e-01 0.000000000
## 989              FP190  5.550108e-02 0.000000000
## 990              FP191  1.990202e-01 0.000000000
## 991              FP192 -2.420766e-01 0.000000000
## 992              FP193  1.167013e-01 0.000000000
## 993              FP194  1.754226e-01 0.000000000
## 994              FP195  6.157227e-02 0.000000000
## 995              FP196  4.965790e-01 0.000000000
## 996              FP197  4.292524e-02 0.000000000
## 997              FP198  7.942520e-02 0.000000000
## 998              FP199 -7.069462e-02 0.000000000
## 999              FP200 -1.514611e-01 0.000000000
## 1000             FP201 -4.289288e-01 0.000000000
## 1001             FP202  6.017386e-01 0.000000000
## 1002             FP203  3.159082e-01 0.000000000
## 1003             FP204 -2.528466e-01 0.000000000
## 1004             FP205  1.390223e-01 0.000000000
## 1005             FP206 -8.653734e-02 0.000000000
## 1006             FP207  1.005378e-01 0.000000000
## 1007             FP208 -4.101280e-01 0.000000000
## 1008         MolWeight -4.389371e-03 0.000000000
## 1009          NumAtoms  2.283079e-02 0.000000000
## 1010      NumNonHAtoms -3.614042e-02 0.000000000
## 1011          NumBonds  8.283214e-03 0.000000000
## 1012      NumNonHBonds -3.557503e-02 0.000000000
## 1013      NumMultBonds  9.164702e-02 0.000000000
## 1014       NumRotBonds -1.974381e-01 0.000000000
## 1015       NumDblBonds  1.029680e-01 0.000000000
## 1016  NumAromaticBonds -2.022454e-01 0.000000000
## 1017       NumHydrogen -3.941778e-03 0.000000000
## 1018         NumCarbon -2.011043e-01 0.000000000
## 1019       NumNitrogen  5.778495e-01 0.000000000
## 1020         NumOxygen  8.034092e-01 0.000000000
## 1021         NumSulfer -2.572576e-01 0.000000000
## 1022       NumChlorine -3.982147e-01 0.000000000
## 1023        NumHalogen  3.851172e-02 0.000000000
## 1024          NumRings -4.803036e-02 0.000000000
## 1025 HydrophilicFactor  8.600933e-02 0.000000000
## 1026      SurfaceArea1 -1.458555e-02 0.000000000
## 1027      SurfaceArea2 -2.716175e-03 0.000000000
ggplot(ridgebetadf, aes(x=lambda, y=coefficient)) + geom_line(aes(group=name, col=name), alpha=.5) + theme(legend.position="none") 

I’ve adjusted alpha to show the concentrations better.

4.4 Lasso

#just for reference for the enetgrid used if I was using elasticnet
#enetGrid <- expand.grid(.lambda = c(0, 0.01, .1),fraction = seq(.05, 1, length = 20))
#Set a random seed
set.seed(123)

#Perform the model building process for Ridge
lasso_fit <- cv.glmnet(x=as.matrix(solTrainX), y=solTrainY,family="gaussian",alpha=0, 
                type.measure="mse", nfolds = 10, lambda = seq(0,1, by = .01),
                standardize=TRUE)

#Print this object
print(lasso_fit)
## $lambda
##   [1] 1.00 0.99 0.98 0.97 0.96 0.95 0.94 0.93 0.92 0.91 0.90 0.89 0.88 0.87
##  [15] 0.86 0.85 0.84 0.83 0.82 0.81 0.80 0.79 0.78 0.77 0.76 0.75 0.74 0.73
##  [29] 0.72 0.71 0.70 0.69 0.68 0.67 0.66 0.65 0.64 0.63 0.62 0.61 0.60 0.59
##  [43] 0.58 0.57 0.56 0.55 0.54 0.53 0.52 0.51 0.50 0.49 0.48 0.47 0.46 0.45
##  [57] 0.44 0.43 0.42 0.41 0.40 0.39 0.38 0.37 0.36 0.35 0.34 0.33 0.32 0.31
##  [71] 0.30 0.29 0.28 0.27 0.26 0.25 0.24 0.23 0.22 0.21 0.20 0.19 0.18 0.17
##  [85] 0.16 0.15 0.14 0.13 0.12 0.11 0.10 0.09 0.08 0.07 0.06 0.05 0.04 0.03
##  [99] 0.02 0.01 0.00
## 
## $cvm
##   [1] 0.5720384 0.5709252 0.5696063 0.5681789 0.5668816 0.5655289 0.5641908
##   [8] 0.5628828 0.5615781 0.5603783 0.5591378 0.5581011 0.5569791 0.5559294
##  [15] 0.5548685 0.5537682 0.5526623 0.5515332 0.5503781 0.5492002 0.5480013
##  [22] 0.5467834 0.5455577 0.5442795 0.5429975 0.5417402 0.5404421 0.5391260
##  [29] 0.5378677 0.5365625 0.5353228 0.5340231 0.5328726 0.5315529 0.5303272
##  [36] 0.5290972 0.5277820 0.5266042 0.5252873 0.5239761 0.5227030 0.5213884
##  [43] 0.5200742 0.5187525 0.5174211 0.5160811 0.5147343 0.5133828 0.5120279
##  [50] 0.5106702 0.5093099 0.5079466 0.5065797 0.5052083 0.5038317 0.5024225
##  [57] 0.5009645 0.4995841 0.4980992 0.4967193 0.4952299 0.4937841 0.4923282
##  [64] 0.4908585 0.4894072 0.4879578 0.4865007 0.4850113 0.4835213 0.4819851
##  [71] 0.4804885 0.4789306 0.4774193 0.4758922 0.4743932 0.4728646 0.4713311
##  [78] 0.4697698 0.4682439 0.4667534 0.4652466 0.4637275 0.4622720 0.4608203
##  [85] 0.4593884 0.4580449 0.4567221 0.4554872 0.4542840 0.4532809 0.4523821
##  [92] 0.4517070 0.4512312 0.4511786 0.4515903 0.4527094 0.4548480 0.4586732
##  [99] 0.4655505 0.4787457 0.5228495
## 
## $cvsd
##   [1] 0.02714763 0.02698466 0.02692221 0.02681986 0.02669052 0.02656203
##   [7] 0.02642658 0.02629839 0.02616367 0.02607097 0.02597364 0.02588614
##  [13] 0.02580014 0.02571555 0.02563309 0.02555166 0.02547088 0.02538137
##  [19] 0.02528989 0.02519553 0.02509851 0.02499920 0.02489946 0.02477915
##  [25] 0.02467930 0.02456917 0.02447403 0.02437451 0.02428392 0.02419093
##  [31] 0.02410224 0.02400904 0.02393187 0.02384237 0.02376185 0.02367188
##  [37] 0.02358916 0.02351082 0.02342488 0.02334771 0.02326865 0.02318671
##  [43] 0.02310555 0.02302559 0.02294719 0.02287065 0.02279618 0.02272389
##  [49] 0.02265385 0.02258606 0.02252051 0.02245716 0.02239601 0.02233705
##  [55] 0.02228032 0.02221115 0.02216857 0.02211631 0.02208027 0.02202541
##  [61] 0.02198281 0.02194440 0.02191707 0.02188913 0.02186625 0.02184731
##  [67] 0.02183093 0.02180506 0.02180776 0.02180235 0.02180752 0.02181466
##  [73] 0.02183607 0.02185516 0.02188463 0.02191061 0.02195946 0.02201727
##  [79] 0.02207863 0.02214676 0.02222152 0.02232140 0.02242338 0.02253183
##  [85] 0.02267203 0.02281638 0.02298152 0.02315093 0.02334672 0.02355137
##  [91] 0.02377838 0.02402317 0.02429295 0.02457000 0.02487044 0.02519161
##  [97] 0.02552687 0.02584599 0.02610894 0.02627419 0.02822063
## 
## $cvup
##   [1] 0.5991860 0.5979098 0.5965285 0.5949988 0.5935721 0.5920909 0.5906174
##   [8] 0.5891812 0.5877417 0.5864493 0.5851115 0.5839873 0.5827792 0.5816450
##  [15] 0.5805016 0.5793198 0.5781332 0.5769145 0.5756679 0.5743957 0.5730998
##  [22] 0.5717826 0.5704572 0.5690586 0.5676768 0.5663094 0.5649161 0.5635005
##  [29] 0.5621517 0.5607534 0.5594250 0.5580322 0.5568045 0.5553953 0.5540891
##  [36] 0.5527691 0.5513712 0.5501150 0.5487122 0.5473238 0.5459717 0.5445751
##  [43] 0.5431797 0.5417781 0.5403683 0.5389517 0.5375305 0.5361067 0.5346817
##  [50] 0.5332563 0.5318304 0.5304038 0.5289757 0.5275453 0.5261120 0.5246337
##  [57] 0.5231331 0.5217005 0.5201795 0.5187447 0.5172127 0.5157285 0.5142453
##  [64] 0.5127476 0.5112734 0.5098051 0.5083316 0.5068163 0.5053291 0.5037874
##  [71] 0.5022961 0.5007452 0.4992554 0.4977474 0.4962778 0.4947752 0.4932906
##  [78] 0.4917870 0.4903225 0.4889001 0.4874681 0.4860489 0.4846954 0.4833521
##  [85] 0.4820605 0.4808613 0.4797036 0.4786381 0.4776307 0.4768322 0.4761605
##  [92] 0.4757301 0.4755242 0.4757486 0.4764608 0.4779010 0.4803748 0.4845192
##  [99] 0.4916595 0.5050199 0.5510701
## 
## $cvlo
##   [1] 0.5448908 0.5439405 0.5426841 0.5413591 0.5401911 0.5389669 0.5377642
##   [8] 0.5365844 0.5354144 0.5343073 0.5331642 0.5322150 0.5311790 0.5302139
##  [15] 0.5292354 0.5282165 0.5271914 0.5261518 0.5250882 0.5240047 0.5229028
##  [22] 0.5217842 0.5206582 0.5195003 0.5183182 0.5171710 0.5159680 0.5147515
##  [29] 0.5135838 0.5123715 0.5112206 0.5100141 0.5089407 0.5077106 0.5065654
##  [36] 0.5054253 0.5041929 0.5030934 0.5018625 0.5006284 0.4994344 0.4982016
##  [43] 0.4969686 0.4957269 0.4944739 0.4932104 0.4919382 0.4906589 0.4893740
##  [50] 0.4880842 0.4867894 0.4854895 0.4841836 0.4828712 0.4815514 0.4802114
##  [57] 0.4787960 0.4774678 0.4760189 0.4746939 0.4732471 0.4718397 0.4704111
##  [64] 0.4689693 0.4675409 0.4661105 0.4646698 0.4632062 0.4617136 0.4601827
##  [71] 0.4586810 0.4571159 0.4555833 0.4540370 0.4525086 0.4509540 0.4493717
##  [78] 0.4477525 0.4461652 0.4446066 0.4430251 0.4414061 0.4398486 0.4382885
##  [85] 0.4367164 0.4352286 0.4337405 0.4323362 0.4309373 0.4297295 0.4286037
##  [92] 0.4276838 0.4269383 0.4266086 0.4267199 0.4275178 0.4293211 0.4328272
##  [99] 0.4394416 0.4524715 0.4946288
## 
## $nzero
##   s0   s1   s2   s3   s4   s5   s6   s7   s8   s9  s10  s11  s12  s13  s14 
##  228  228  228  228  228  228  228  228  228  228  228  228  228  228  228 
##  s15  s16  s17  s18  s19  s20  s21  s22  s23  s24  s25  s26  s27  s28  s29 
##  228  228  228  228  228  228  228  228  228  228  228  228  228  228  228 
##  s30  s31  s32  s33  s34  s35  s36  s37  s38  s39  s40  s41  s42  s43  s44 
##  228  228  228  228  228  228  228  228  228  228  228  228  228  228  228 
##  s45  s46  s47  s48  s49  s50  s51  s52  s53  s54  s55  s56  s57  s58  s59 
##  228  228  228  228  228  228  228  228  228  228  228  228  228  228  228 
##  s60  s61  s62  s63  s64  s65  s66  s67  s68  s69  s70  s71  s72  s73  s74 
##  228  228  228  228  228  228  228  228  228  228  228  228  228  228  228 
##  s75  s76  s77  s78  s79  s80  s81  s82  s83  s84  s85  s86  s87  s88  s89 
##  228  228  228  228  228  228  228  228  228  228  228  228  228  228  228 
##  s90  s91  s92  s93  s94  s95  s96  s97  s98  s99 s100 
##  228  228  228  228  228  228  228  228  228  228  228 
## 
## $name
##                  mse 
## "Mean-Squared Error" 
## 
## $glmnet.fit
## 
## Call:  glmnet(x = as.matrix(solTrainX), y = solTrainY, lambda = seq(0,      1, by = 0.01), family = "gaussian", alpha = 0, standardize = TRUE) 
## 
##         Df   %Dev Lambda
##   [1,] 228 0.8872   1.00
##   [2,] 228 0.8876   0.99
##   [3,] 228 0.8879   0.98
##   [4,] 228 0.8883   0.97
##   [5,] 228 0.8887   0.96
##   [6,] 228 0.8890   0.95
##   [7,] 228 0.8894   0.94
##   [8,] 228 0.8898   0.93
##   [9,] 228 0.8901   0.92
##  [10,] 228 0.8905   0.91
##  [11,] 228 0.8908   0.90
##  [12,] 228 0.8912   0.89
##  [13,] 228 0.8915   0.88
##  [14,] 228 0.8919   0.87
##  [15,] 228 0.8922   0.86
##  [16,] 228 0.8926   0.85
##  [17,] 228 0.8929   0.84
##  [18,] 228 0.8933   0.83
##  [19,] 228 0.8936   0.82
##  [20,] 228 0.8940   0.81
##  [21,] 228 0.8944   0.80
##  [22,] 228 0.8948   0.79
##  [23,] 228 0.8951   0.78
##  [24,] 228 0.8955   0.77
##  [25,] 228 0.8959   0.76
##  [26,] 228 0.8963   0.75
##  [27,] 228 0.8967   0.74
##  [28,] 228 0.8971   0.73
##  [29,] 228 0.8975   0.72
##  [30,] 228 0.8979   0.71
##  [31,] 228 0.8983   0.70
##  [32,] 228 0.8987   0.69
##  [33,] 228 0.8990   0.68
##  [34,] 228 0.8995   0.67
##  [35,] 228 0.8998   0.66
##  [36,] 228 0.9003   0.65
##  [37,] 228 0.9007   0.64
##  [38,] 228 0.9011   0.63
##  [39,] 228 0.9015   0.62
##  [40,] 228 0.9020   0.61
##  [41,] 228 0.9024   0.60
##  [42,] 228 0.9028   0.59
##  [43,] 228 0.9032   0.58
##  [44,] 228 0.9037   0.57
##  [45,] 228 0.9041   0.56
##  [46,] 228 0.9045   0.55
##  [47,] 228 0.9050   0.54
##  [48,] 228 0.9054   0.53
##  [49,] 228 0.9059   0.52
##  [50,] 228 0.9064   0.51
##  [51,] 228 0.9068   0.50
##  [52,] 228 0.9073   0.49
##  [53,] 228 0.9078   0.48
##  [54,] 228 0.9082   0.47
##  [55,] 228 0.9087   0.46
##  [56,] 228 0.9092   0.45
##  [57,] 228 0.9097   0.44
##  [58,] 228 0.9102   0.43
##  [59,] 228 0.9107   0.42
##  [60,] 228 0.9113   0.41
##  [61,] 228 0.9117   0.40
##  [62,] 228 0.9123   0.39
##  [63,] 228 0.9128   0.38
##  [64,] 228 0.9134   0.37
##  [65,] 228 0.9139   0.36
##  [66,] 228 0.9144   0.35
##  [67,] 228 0.9150   0.34
##  [68,] 228 0.9155   0.33
##  [69,] 228 0.9161   0.32
##  [70,] 228 0.9167   0.31
##  [71,] 228 0.9173   0.30
##  [72,] 228 0.9179   0.29
##  [73,] 228 0.9185   0.28
##  [74,] 228 0.9192   0.27
##  [75,] 228 0.9198   0.26
##  [76,] 228 0.9204   0.25
##  [77,] 228 0.9211   0.24
##  [78,] 228 0.9217   0.23
##  [79,] 228 0.9224   0.22
##  [80,] 228 0.9231   0.21
##  [81,] 228 0.9238   0.20
##  [82,] 228 0.9246   0.19
##  [83,] 228 0.9253   0.18
##  [84,] 228 0.9260   0.17
##  [85,] 228 0.9268   0.16
##  [86,] 228 0.9276   0.15
##  [87,] 228 0.9284   0.14
##  [88,] 228 0.9292   0.13
##  [89,] 228 0.9301   0.12
##  [90,] 228 0.9310   0.11
##  [91,] 228 0.9319   0.10
##  [92,] 228 0.9328   0.09
##  [93,] 228 0.9337   0.08
##  [94,] 228 0.9347   0.07
##  [95,] 228 0.9358   0.06
##  [96,] 228 0.9368   0.05
##  [97,] 228 0.9380   0.04
##  [98,] 228 0.9391   0.03
##  [99,] 228 0.9403   0.02
## [100,] 228 0.9417   0.01
## [101,] 228 0.9431   0.00
## 
## $lambda.min
## [1] 0.07
## 
## $lambda.1se
## [1] 0.26
## 
## attr(,"class")
## [1] "cv.glmnet"
#Plot the RMSEs against the values of the tuning parameter lambda
RMSE <- (lasso_fit$cvm)**.5
EvL <- data.frame(RMSE, lasso_fit$lambda)
names(EvL) <- c('RMSE', 'Lambda')

ggplot(EvL, aes(x=Lambda, y=RMSE)) + geom_point() + geom_line(col="blue")

#What is the value of lambda that gives the minimum RMSE value?
lasso_fit$lambda.min
## [1] 0.07
#Make a plot of the regression coefficient paths
#Code partially found from stack overflow

lambdas <- length(lasso_fit$lambda)
tmp_coeffs <- coef(lasso_fit, s = lasso_fit$lambda[1])
lassobetadf <- data.frame(name = tmp_coeffs@Dimnames[[1]][tmp_coeffs@i + 1], coefficient = tmp_coeffs@x)
lassobetadf['lambda'] <- rep(lasso_fit$lambda[1], nrow(lassobetadf))

for (i in c(2: lambdas)) {
  tmp_coeffs <- coef(ridge_fit, s = lasso_fit$lambda[i])
  new <- data.frame(name = tmp_coeffs@Dimnames[[1]][tmp_coeffs@i + 1], coefficient = tmp_coeffs@x)
  new['lambda'] <- rep(lasso_fit$lambda[i], nrow(new))
  lassobetadf <- rbind(lassobetadf, new)
}

lassobetadf
##                   name   coefficient lambda
## 1          (Intercept) -0.4506697697   1.00
## 2                FP001  0.0403174461   1.00
## 3                FP002  0.0114994944   1.00
## 4                FP003 -0.0390837759   1.00
## 5                FP004  0.0282699545   1.00
## 6                FP005 -0.0762999042   1.00
## 7                FP006  0.0541285946   1.00
## 8                FP007 -0.0164819258   1.00
## 9                FP008 -0.0278913064   1.00
## 10               FP009 -0.0821035381   1.00
## 11               FP010  0.0483640458   1.00
## 12               FP011  0.1221902032   1.00
## 13               FP012  0.0066022948   1.00
## 14               FP013 -0.0989441456   1.00
## 15               FP014 -0.0486883750   1.00
## 16               FP015  0.0291734612   1.00
## 17               FP016 -0.0245785868   1.00
## 18               FP017 -0.0624484037   1.00
## 19               FP018 -0.0483150363   1.00
## 20               FP019  0.0946346046   1.00
## 21               FP020  0.0424515271   1.00
## 22               FP021 -0.0275110466   1.00
## 23               FP022  0.0887347888   1.00
## 24               FP023 -0.0901961063   1.00
## 25               FP024  0.0146383921   1.00
## 26               FP025 -0.0217754368   1.00
## 27               FP026  0.0988668753   1.00
## 28               FP027  0.1031613873   1.00
## 29               FP028  0.0790477582   1.00
## 30               FP029 -0.0705403762   1.00
## 31               FP030 -0.0089227208   1.00
## 32               FP031  0.1558372308   1.00
## 33               FP032  0.0521370960   1.00
## 34               FP033  0.1311988397   1.00
## 35               FP034 -0.1588950737   1.00
## 36               FP035 -0.0089501103   1.00
## 37               FP036 -0.0027302231   1.00
## 38               FP037  0.1528779542   1.00
## 39               FP038  0.0163536581   1.00
## 40               FP039 -0.3351757015   1.00
## 41               FP040  0.3319312864   1.00
## 42               FP041  0.0383262662   1.00
## 43               FP042  0.0923065368   1.00
## 44               FP043  0.2687337080   1.00
## 45               FP044 -0.4527074701   1.00
## 46               FP045 -0.0729987602   1.00
## 47               FP046  0.0391567263   1.00
## 48               FP047 -0.0362893492   1.00
## 49               FP048 -0.0619709100   1.00
## 50               FP049  0.1061608153   1.00
## 51               FP050 -0.1350082346   1.00
## 52               FP051 -0.0010387482   1.00
## 53               FP052  0.0431081438   1.00
## 54               FP053  0.1150587433   1.00
## 55               FP054 -0.0544802688   1.00
## 56               FP055  0.0635894581   1.00
## 57               FP056 -0.2422306300   1.00
## 58               FP057 -0.0187362109   1.00
## 59               FP058  0.0134935807   1.00
## 60               FP059 -0.4008920807   1.00
## 61               FP060  0.1227493509   1.00
## 62               FP061 -0.0109686670   1.00
## 63               FP062  0.0569742260   1.00
## 64               FP063  0.1952673208   1.00
## 65               FP064  0.0077724640   1.00
## 66               FP065 -0.1471163926   1.00
## 67               FP066  0.0649956411   1.00
## 68               FP067  0.0114349493   1.00
## 69               FP068  0.0378891730   1.00
## 70               FP069 -0.0032401497   1.00
## 71               FP070 -0.1978922159   1.00
## 72               FP071 -0.0288877562   1.00
## 73               FP072  0.2758485346   1.00
## 74               FP073  0.1024581658   1.00
## 75               FP074  0.1644192078   1.00
## 76               FP075  0.1211217432   1.00
## 77               FP076 -0.1341841086   1.00
## 78               FP077  0.0032742098   1.00
## 79               FP078  0.0079179841   1.00
## 80               FP079 -0.0536311057   1.00
## 81               FP080  0.0682238204   1.00
## 82               FP081 -0.1003771473   1.00
## 83               FP082 -0.1311589216   1.00
## 84               FP083 -0.0352259195   1.00
## 85               FP084  0.1591658494   1.00
## 86               FP085 -0.1334760336   1.00
## 87               FP086 -0.0444556967   1.00
## 88               FP087 -0.1074041358   1.00
## 89               FP088  0.1203017307   1.00
## 90               FP089 -0.1784700716   1.00
## 91               FP090 -0.0363988507   1.00
## 92               FP091  0.0382500274   1.00
## 93               FP092 -0.0760805531   1.00
## 94               FP093 -0.0375026072   1.00
## 95               FP094 -0.0797703574   1.00
## 96               FP095  0.0295398522   1.00
## 97               FP096  0.0257892258   1.00
## 98               FP097 -0.0227617460   1.00
## 99               FP098 -0.0369336246   1.00
## 100              FP099  0.0253811353   1.00
## 101              FP100 -0.0246346914   1.00
## 102              FP101  0.1592692884   1.00
## 103              FP102  0.0524800419   1.00
## 104              FP103 -0.1087158740   1.00
## 105              FP104 -0.1074382875   1.00
## 106              FP105 -0.0527962910   1.00
## 107              FP106 -0.0634828986   1.00
## 108              FP107 -0.0676200670   1.00
## 109              FP108  0.0183472991   1.00
## 110              FP109  0.0438144072   1.00
## 111              FP110 -0.0267007746   1.00
## 112              FP111 -0.2140170674   1.00
## 113              FP112 -0.0993252735   1.00
## 114              FP113  0.0310555820   1.00
## 115              FP114 -0.0006185999   1.00
## 116              FP115  0.0681221260   1.00
## 117              FP116  0.1376959404   1.00
## 118              FP117 -0.0836899721   1.00
## 119              FP118  0.0198573666   1.00
## 120              FP119  0.0414585622   1.00
## 121              FP120  0.0621457744   1.00
## 122              FP121  0.0005797482   1.00
## 123              FP122  0.1179735864   1.00
## 124              FP123 -0.1372060827   1.00
## 125              FP124  0.1673694457   1.00
## 126              FP125  0.0387827687   1.00
## 127              FP126 -0.1497236359   1.00
## 128              FP127 -0.1007724756   1.00
## 129              FP128 -0.0567680646   1.00
## 130              FP129  0.0181139289   1.00
## 131              FP130  0.0005312363   1.00
## 132              FP131  0.0706062100   1.00
## 133              FP132  0.0422476253   1.00
## 134              FP133 -0.0916251537   1.00
## 135              FP134 -0.1105495422   1.00
## 136              FP135  0.1880500539   1.00
## 137              FP136  0.1590042199   1.00
## 138              FP137  0.0753718886   1.00
## 139              FP138  0.1279350579   1.00
## 140              FP139  0.0809072991   1.00
## 141              FP140  0.0403817360   1.00
## 142              FP141 -0.1465201826   1.00
## 143              FP142  0.2774404303   1.00
## 144              FP143  0.0746371012   1.00
## 145              FP144  0.0731386922   1.00
## 146              FP145 -0.1519513000   1.00
## 147              FP146 -0.1177016475   1.00
## 148              FP147  0.1781567060   1.00
## 149              FP148 -0.0423715355   1.00
## 150              FP149 -0.1061465247   1.00
## 151              FP150  0.0048316350   1.00
## 152              FP151  0.1417811872   1.00
## 153              FP152 -0.1035027000   1.00
## 154              FP153  0.0073832680   1.00
## 155              FP154 -0.1977974004   1.00
## 156              FP155  0.0306730549   1.00
## 157              FP156 -0.0674686135   1.00
## 158              FP157  0.0570544596   1.00
## 159              FP158  0.0056518935   1.00
## 160              FP159  0.1440368516   1.00
## 161              FP160 -0.0636227162   1.00
## 162              FP161 -0.0554296461   1.00
## 163              FP162  0.0017655251   1.00
## 164              FP163  0.1007638576   1.00
## 165              FP164  0.0411903353   1.00
## 166              FP165 -0.0432512683   1.00
## 167              FP166  0.0965705796   1.00
## 168              FP167 -0.0041548408   1.00
## 169              FP168 -0.1417774321   1.00
## 170              FP169 -0.0862935479   1.00
## 171              FP170  0.0356055203   1.00
## 172              FP171  0.0307375172   1.00
## 173              FP172 -0.1387449418   1.00
## 174              FP173  0.1164442046   1.00
## 175              FP174 -0.0001265448   1.00
## 176              FP175 -0.0833925705   1.00
## 177              FP176  0.1400234363   1.00
## 178              FP177 -0.0803284730   1.00
## 179              FP178 -0.0793482142   1.00
## 180              FP179  0.0494245631   1.00
## 181              FP180 -0.0503370251   1.00
## 182              FP181  0.0505274813   1.00
## 183              FP182 -0.0116513301   1.00
## 184              FP183  0.0717885302   1.00
## 185              FP184  0.0390106738   1.00
## 186              FP185 -0.0183677714   1.00
## 187              FP186  0.0054790223   1.00
## 188              FP187  0.0434592119   1.00
## 189              FP188  0.2077890468   1.00
## 190              FP189  0.0613999202   1.00
## 191              FP190  0.0966097046   1.00
## 192              FP191  0.0305913577   1.00
## 193              FP192  0.0181246070   1.00
## 194              FP193 -0.1981393385   1.00
## 195              FP194  0.0655026368   1.00
## 196              FP195  0.0281634711   1.00
## 197              FP196  0.0827920069   1.00
## 198              FP197  0.0090052965   1.00
## 199              FP198  0.0933746398   1.00
## 200              FP199 -0.0461351395   1.00
## 201              FP200 -0.0217133168   1.00
## 202              FP201 -0.0781038926   1.00
## 203              FP202  0.0824707429   1.00
## 204              FP203  0.0388208664   1.00
## 205              FP204 -0.1342716742   1.00
## 206              FP205 -0.1147541978   1.00
## 207              FP206 -0.2675641464   1.00
## 208              FP207  0.0823044012   1.00
## 209              FP208  0.0121155313   1.00
## 210          MolWeight -0.0021959289   1.00
## 211           NumAtoms -0.0095304377   1.00
## 212       NumNonHAtoms -0.0223960417   1.00
## 213           NumBonds -0.0089772106   1.00
## 214       NumNonHBonds -0.0186900435   1.00
## 215       NumMultBonds -0.0274074621   1.00
## 216        NumRotBonds -0.0563470257   1.00
## 217        NumDblBonds  0.0185143240   1.00
## 218   NumAromaticBonds -0.0275949376   1.00
## 219        NumHydrogen -0.0102932825   1.00
## 220          NumCarbon -0.0316046499   1.00
## 221        NumNitrogen  0.0248853977   1.00
## 222          NumOxygen  0.0678526778   1.00
## 223          NumSulfer -0.1772177281   1.00
## 224        NumChlorine -0.1255726671   1.00
## 225         NumHalogen -0.1147072763   1.00
## 226           NumRings -0.0780945540   1.00
## 227  HydrophilicFactor  0.0823526590   1.00
## 228       SurfaceArea1  0.0030468819   1.00
## 229       SurfaceArea2  0.0014333925   1.00
## 230        (Intercept) -0.3867786288   0.99
## 231              FP011  0.1041491854   0.99
## 232              FP039 -0.2038968875   0.99
## 233              FP040  0.3254007084   0.99
## 234              FP043  0.1685895852   0.99
## 235              FP044 -0.5488024859   0.99
## 236              FP050 -0.0038921250   0.99
## 237              FP059 -0.5782751618   0.99
## 238              FP063  0.2850948829   0.99
## 239              FP072  0.4584343590   0.99
## 240              FP073  0.0367867962   0.99
## 241              FP074  0.1163292998   0.99
## 242              FP084  0.0747062300   0.99
## 243              FP094 -0.0567192259   0.99
## 244              FP101  0.0396227725   0.99
## 245              FP111 -0.1283600608   0.99
## 246              FP124  0.0054472012   0.99
## 247              FP135  0.2493512120   0.99
## 248              FP142  0.3342292410   0.99
## 249              FP147  0.0736102979   0.99
## 250              FP172 -0.0404058364   0.99
## 251              FP193 -0.0017617755   0.99
## 252              FP204 -0.2214420681   0.99
## 253              FP206 -0.2355032816   0.99
## 254          MolWeight -0.0071031175   0.99
## 255       NumMultBonds -0.0646492376   0.99
## 256        NumRotBonds -0.0118190474   0.99
## 257          NumCarbon -0.1200727172   0.99
## 258          NumOxygen  0.1361853059   0.99
## 259          NumSulfer -0.0900109434   0.99
## 260        NumChlorine -0.2797318141   0.99
## 261  HydrophilicFactor  0.0696293441   0.99
## 262       SurfaceArea1  0.0053537512   0.99
## 263        (Intercept) -0.3867786288   0.98
## 264              FP011  0.1041491854   0.98
## 265              FP039 -0.2038968875   0.98
## 266              FP040  0.3254007084   0.98
## 267              FP043  0.1685895852   0.98
## 268              FP044 -0.5488024859   0.98
## 269              FP050 -0.0038921250   0.98
## 270              FP059 -0.5782751618   0.98
## 271              FP063  0.2850948829   0.98
## 272              FP072  0.4584343590   0.98
## 273              FP073  0.0367867962   0.98
## 274              FP074  0.1163292998   0.98
## 275              FP084  0.0747062300   0.98
## 276              FP094 -0.0567192259   0.98
## 277              FP101  0.0396227725   0.98
## 278              FP111 -0.1283600608   0.98
## 279              FP124  0.0054472012   0.98
## 280              FP135  0.2493512120   0.98
## 281              FP142  0.3342292410   0.98
## 282              FP147  0.0736102979   0.98
## 283              FP172 -0.0404058364   0.98
## 284              FP193 -0.0017617755   0.98
## 285              FP204 -0.2214420681   0.98
## 286              FP206 -0.2355032816   0.98
## 287          MolWeight -0.0071031175   0.98
## 288       NumMultBonds -0.0646492376   0.98
## 289        NumRotBonds -0.0118190474   0.98
## 290          NumCarbon -0.1200727172   0.98
## 291          NumOxygen  0.1361853059   0.98
## 292          NumSulfer -0.0900109434   0.98
## 293        NumChlorine -0.2797318141   0.98
## 294  HydrophilicFactor  0.0696293441   0.98
## 295       SurfaceArea1  0.0053537512   0.98
## 296        (Intercept) -0.3867786288   0.97
## 297              FP011  0.1041491854   0.97
## 298              FP039 -0.2038968875   0.97
## 299              FP040  0.3254007084   0.97
## 300              FP043  0.1685895852   0.97
## 301              FP044 -0.5488024859   0.97
## 302              FP050 -0.0038921250   0.97
## 303              FP059 -0.5782751618   0.97
## 304              FP063  0.2850948829   0.97
## 305              FP072  0.4584343590   0.97
## 306              FP073  0.0367867962   0.97
## 307              FP074  0.1163292998   0.97
## 308              FP084  0.0747062300   0.97
## 309              FP094 -0.0567192259   0.97
## 310              FP101  0.0396227725   0.97
## 311              FP111 -0.1283600608   0.97
## 312              FP124  0.0054472012   0.97
## 313              FP135  0.2493512120   0.97
## 314              FP142  0.3342292410   0.97
## 315              FP147  0.0736102979   0.97
## 316              FP172 -0.0404058364   0.97
## 317              FP193 -0.0017617755   0.97
## 318              FP204 -0.2214420681   0.97
## 319              FP206 -0.2355032816   0.97
## 320          MolWeight -0.0071031175   0.97
## 321       NumMultBonds -0.0646492376   0.97
## 322        NumRotBonds -0.0118190474   0.97
## 323          NumCarbon -0.1200727172   0.97
## 324          NumOxygen  0.1361853059   0.97
## 325          NumSulfer -0.0900109434   0.97
## 326        NumChlorine -0.2797318141   0.97
## 327  HydrophilicFactor  0.0696293441   0.97
## 328       SurfaceArea1  0.0053537512   0.97
## 329        (Intercept) -0.3867786288   0.96
## 330              FP011  0.1041491854   0.96
## 331              FP039 -0.2038968875   0.96
## 332              FP040  0.3254007084   0.96
## 333              FP043  0.1685895852   0.96
## 334              FP044 -0.5488024859   0.96
## 335              FP050 -0.0038921250   0.96
## 336              FP059 -0.5782751618   0.96
## 337              FP063  0.2850948829   0.96
## 338              FP072  0.4584343590   0.96
## 339              FP073  0.0367867962   0.96
## 340              FP074  0.1163292998   0.96
## 341              FP084  0.0747062300   0.96
## 342              FP094 -0.0567192259   0.96
## 343              FP101  0.0396227725   0.96
## 344              FP111 -0.1283600608   0.96
## 345              FP124  0.0054472012   0.96
## 346              FP135  0.2493512120   0.96
## 347              FP142  0.3342292410   0.96
## 348              FP147  0.0736102979   0.96
## 349              FP172 -0.0404058364   0.96
## 350              FP193 -0.0017617755   0.96
## 351              FP204 -0.2214420681   0.96
## 352              FP206 -0.2355032816   0.96
## 353          MolWeight -0.0071031175   0.96
## 354       NumMultBonds -0.0646492376   0.96
## 355        NumRotBonds -0.0118190474   0.96
## 356          NumCarbon -0.1200727172   0.96
## 357          NumOxygen  0.1361853059   0.96
## 358          NumSulfer -0.0900109434   0.96
## 359        NumChlorine -0.2797318141   0.96
## 360  HydrophilicFactor  0.0696293441   0.96
## 361       SurfaceArea1  0.0053537512   0.96
## 362        (Intercept) -0.3867786288   0.95
## 363              FP011  0.1041491854   0.95
## 364              FP039 -0.2038968875   0.95
## 365              FP040  0.3254007084   0.95
## 366              FP043  0.1685895852   0.95
## 367              FP044 -0.5488024859   0.95
## 368              FP050 -0.0038921250   0.95
## 369              FP059 -0.5782751618   0.95
## 370              FP063  0.2850948829   0.95
## 371              FP072  0.4584343590   0.95
## 372              FP073  0.0367867962   0.95
## 373              FP074  0.1163292998   0.95
## 374              FP084  0.0747062300   0.95
## 375              FP094 -0.0567192259   0.95
## 376              FP101  0.0396227725   0.95
## 377              FP111 -0.1283600608   0.95
## 378              FP124  0.0054472012   0.95
## 379              FP135  0.2493512120   0.95
## 380              FP142  0.3342292410   0.95
## 381              FP147  0.0736102979   0.95
## 382              FP172 -0.0404058364   0.95
## 383              FP193 -0.0017617755   0.95
## 384              FP204 -0.2214420681   0.95
## 385              FP206 -0.2355032816   0.95
## 386          MolWeight -0.0071031175   0.95
## 387       NumMultBonds -0.0646492376   0.95
## 388        NumRotBonds -0.0118190474   0.95
## 389          NumCarbon -0.1200727172   0.95
## 390          NumOxygen  0.1361853059   0.95
## 391          NumSulfer -0.0900109434   0.95
## 392        NumChlorine -0.2797318141   0.95
## 393  HydrophilicFactor  0.0696293441   0.95
## 394       SurfaceArea1  0.0053537512   0.95
## 395        (Intercept) -0.3867786288   0.94
## 396              FP011  0.1041491854   0.94
## 397              FP039 -0.2038968875   0.94
## 398              FP040  0.3254007084   0.94
## 399              FP043  0.1685895852   0.94
## 400              FP044 -0.5488024859   0.94
## 401              FP050 -0.0038921250   0.94
## 402              FP059 -0.5782751618   0.94
## 403              FP063  0.2850948829   0.94
## 404              FP072  0.4584343590   0.94
## 405              FP073  0.0367867962   0.94
## 406              FP074  0.1163292998   0.94
## 407              FP084  0.0747062300   0.94
## 408              FP094 -0.0567192259   0.94
## 409              FP101  0.0396227725   0.94
## 410              FP111 -0.1283600608   0.94
## 411              FP124  0.0054472012   0.94
## 412              FP135  0.2493512120   0.94
## 413              FP142  0.3342292410   0.94
## 414              FP147  0.0736102979   0.94
## 415              FP172 -0.0404058364   0.94
## 416              FP193 -0.0017617755   0.94
## 417              FP204 -0.2214420681   0.94
## 418              FP206 -0.2355032816   0.94
## 419          MolWeight -0.0071031175   0.94
## 420       NumMultBonds -0.0646492376   0.94
## 421        NumRotBonds -0.0118190474   0.94
## 422          NumCarbon -0.1200727172   0.94
## 423          NumOxygen  0.1361853059   0.94
## 424          NumSulfer -0.0900109434   0.94
## 425        NumChlorine -0.2797318141   0.94
## 426  HydrophilicFactor  0.0696293441   0.94
## 427       SurfaceArea1  0.0053537512   0.94
## 428        (Intercept) -0.3867786288   0.93
## 429              FP011  0.1041491854   0.93
## 430              FP039 -0.2038968875   0.93
## 431              FP040  0.3254007084   0.93
## 432              FP043  0.1685895852   0.93
## 433              FP044 -0.5488024859   0.93
## 434              FP050 -0.0038921250   0.93
## 435              FP059 -0.5782751618   0.93
## 436              FP063  0.2850948829   0.93
## 437              FP072  0.4584343590   0.93
## 438              FP073  0.0367867962   0.93
## 439              FP074  0.1163292998   0.93
## 440              FP084  0.0747062300   0.93
## 441              FP094 -0.0567192259   0.93
## 442              FP101  0.0396227725   0.93
## 443              FP111 -0.1283600608   0.93
## 444              FP124  0.0054472012   0.93
## 445              FP135  0.2493512120   0.93
## 446              FP142  0.3342292410   0.93
## 447              FP147  0.0736102979   0.93
## 448              FP172 -0.0404058364   0.93
## 449              FP193 -0.0017617755   0.93
## 450              FP204 -0.2214420681   0.93
## 451              FP206 -0.2355032816   0.93
## 452          MolWeight -0.0071031175   0.93
## 453       NumMultBonds -0.0646492376   0.93
## 454        NumRotBonds -0.0118190474   0.93
## 455          NumCarbon -0.1200727172   0.93
## 456          NumOxygen  0.1361853059   0.93
## 457          NumSulfer -0.0900109434   0.93
## 458        NumChlorine -0.2797318141   0.93
## 459  HydrophilicFactor  0.0696293441   0.93
## 460       SurfaceArea1  0.0053537512   0.93
## 461        (Intercept) -0.3867786288   0.92
## 462              FP011  0.1041491854   0.92
## 463              FP039 -0.2038968875   0.92
## 464              FP040  0.3254007084   0.92
## 465              FP043  0.1685895852   0.92
## 466              FP044 -0.5488024859   0.92
## 467              FP050 -0.0038921250   0.92
## 468              FP059 -0.5782751618   0.92
## 469              FP063  0.2850948829   0.92
## 470              FP072  0.4584343590   0.92
## 471              FP073  0.0367867962   0.92
## 472              FP074  0.1163292998   0.92
## 473              FP084  0.0747062300   0.92
## 474              FP094 -0.0567192259   0.92
## 475              FP101  0.0396227725   0.92
## 476              FP111 -0.1283600608   0.92
## 477              FP124  0.0054472012   0.92
## 478              FP135  0.2493512120   0.92
## 479              FP142  0.3342292410   0.92
## 480              FP147  0.0736102979   0.92
## 481              FP172 -0.0404058364   0.92
## 482              FP193 -0.0017617755   0.92
## 483              FP204 -0.2214420681   0.92
## 484              FP206 -0.2355032816   0.92
## 485          MolWeight -0.0071031175   0.92
## 486       NumMultBonds -0.0646492376   0.92
## 487        NumRotBonds -0.0118190474   0.92
## 488          NumCarbon -0.1200727172   0.92
## 489          NumOxygen  0.1361853059   0.92
## 490          NumSulfer -0.0900109434   0.92
## 491        NumChlorine -0.2797318141   0.92
## 492  HydrophilicFactor  0.0696293441   0.92
## 493       SurfaceArea1  0.0053537512   0.92
## 494        (Intercept) -0.3867786288   0.91
## 495              FP011  0.1041491854   0.91
## 496              FP039 -0.2038968875   0.91
## 497              FP040  0.3254007084   0.91
## 498              FP043  0.1685895852   0.91
## 499              FP044 -0.5488024859   0.91
## 500              FP050 -0.0038921250   0.91
## 501              FP059 -0.5782751618   0.91
## 502              FP063  0.2850948829   0.91
## 503              FP072  0.4584343590   0.91
## 504              FP073  0.0367867962   0.91
## 505              FP074  0.1163292998   0.91
## 506              FP084  0.0747062300   0.91
## 507              FP094 -0.0567192259   0.91
## 508              FP101  0.0396227725   0.91
## 509              FP111 -0.1283600608   0.91
## 510              FP124  0.0054472012   0.91
## 511              FP135  0.2493512120   0.91
## 512              FP142  0.3342292410   0.91
## 513              FP147  0.0736102979   0.91
## 514              FP172 -0.0404058364   0.91
## 515              FP193 -0.0017617755   0.91
## 516              FP204 -0.2214420681   0.91
## 517              FP206 -0.2355032816   0.91
## 518          MolWeight -0.0071031175   0.91
## 519       NumMultBonds -0.0646492376   0.91
## 520        NumRotBonds -0.0118190474   0.91
## 521          NumCarbon -0.1200727172   0.91
## 522          NumOxygen  0.1361853059   0.91
## 523          NumSulfer -0.0900109434   0.91
## 524        NumChlorine -0.2797318141   0.91
## 525  HydrophilicFactor  0.0696293441   0.91
## 526       SurfaceArea1  0.0053537512   0.91
## 527        (Intercept) -0.3867786288   0.90
## 528              FP011  0.1041491854   0.90
## 529              FP039 -0.2038968875   0.90
## 530              FP040  0.3254007084   0.90
## 531              FP043  0.1685895852   0.90
## 532              FP044 -0.5488024859   0.90
## 533              FP050 -0.0038921250   0.90
## 534              FP059 -0.5782751618   0.90
## 535              FP063  0.2850948829   0.90
## 536              FP072  0.4584343590   0.90
## 537              FP073  0.0367867962   0.90
## 538              FP074  0.1163292998   0.90
## 539              FP084  0.0747062300   0.90
## 540              FP094 -0.0567192259   0.90
## 541              FP101  0.0396227725   0.90
## 542              FP111 -0.1283600608   0.90
## 543              FP124  0.0054472012   0.90
## 544              FP135  0.2493512120   0.90
## 545              FP142  0.3342292410   0.90
## 546              FP147  0.0736102979   0.90
## 547              FP172 -0.0404058364   0.90
## 548              FP193 -0.0017617755   0.90
## 549              FP204 -0.2214420681   0.90
## 550              FP206 -0.2355032816   0.90
## 551          MolWeight -0.0071031175   0.90
## 552       NumMultBonds -0.0646492376   0.90
## 553        NumRotBonds -0.0118190474   0.90
## 554          NumCarbon -0.1200727172   0.90
## 555          NumOxygen  0.1361853059   0.90
## 556          NumSulfer -0.0900109434   0.90
## 557        NumChlorine -0.2797318141   0.90
## 558  HydrophilicFactor  0.0696293441   0.90
## 559       SurfaceArea1  0.0053537512   0.90
## 560        (Intercept) -0.3867786288   0.89
## 561              FP011  0.1041491854   0.89
## 562              FP039 -0.2038968875   0.89
## 563              FP040  0.3254007084   0.89
## 564              FP043  0.1685895852   0.89
## 565              FP044 -0.5488024859   0.89
## 566              FP050 -0.0038921250   0.89
## 567              FP059 -0.5782751618   0.89
## 568              FP063  0.2850948829   0.89
## 569              FP072  0.4584343590   0.89
## 570              FP073  0.0367867962   0.89
## 571              FP074  0.1163292998   0.89
## 572              FP084  0.0747062300   0.89
## 573              FP094 -0.0567192259   0.89
## 574              FP101  0.0396227725   0.89
## 575              FP111 -0.1283600608   0.89
## 576              FP124  0.0054472012   0.89
## 577              FP135  0.2493512120   0.89
## 578              FP142  0.3342292410   0.89
## 579              FP147  0.0736102979   0.89
## 580              FP172 -0.0404058364   0.89
## 581              FP193 -0.0017617755   0.89
## 582              FP204 -0.2214420681   0.89
## 583              FP206 -0.2355032816   0.89
## 584          MolWeight -0.0071031175   0.89
## 585       NumMultBonds -0.0646492376   0.89
## 586        NumRotBonds -0.0118190474   0.89
## 587          NumCarbon -0.1200727172   0.89
## 588          NumOxygen  0.1361853059   0.89
## 589          NumSulfer -0.0900109434   0.89
## 590        NumChlorine -0.2797318141   0.89
## 591  HydrophilicFactor  0.0696293441   0.89
## 592       SurfaceArea1  0.0053537512   0.89
## 593        (Intercept) -0.3867786288   0.88
## 594              FP011  0.1041491854   0.88
## 595              FP039 -0.2038968875   0.88
## 596              FP040  0.3254007084   0.88
## 597              FP043  0.1685895852   0.88
## 598              FP044 -0.5488024859   0.88
## 599              FP050 -0.0038921250   0.88
## 600              FP059 -0.5782751618   0.88
## 601              FP063  0.2850948829   0.88
## 602              FP072  0.4584343590   0.88
## 603              FP073  0.0367867962   0.88
## 604              FP074  0.1163292998   0.88
## 605              FP084  0.0747062300   0.88
## 606              FP094 -0.0567192259   0.88
## 607              FP101  0.0396227725   0.88
## 608              FP111 -0.1283600608   0.88
## 609              FP124  0.0054472012   0.88
## 610              FP135  0.2493512120   0.88
## 611              FP142  0.3342292410   0.88
## 612              FP147  0.0736102979   0.88
## 613              FP172 -0.0404058364   0.88
## 614              FP193 -0.0017617755   0.88
## 615              FP204 -0.2214420681   0.88
## 616              FP206 -0.2355032816   0.88
## 617          MolWeight -0.0071031175   0.88
## 618       NumMultBonds -0.0646492376   0.88
## 619        NumRotBonds -0.0118190474   0.88
## 620          NumCarbon -0.1200727172   0.88
## 621          NumOxygen  0.1361853059   0.88
## 622          NumSulfer -0.0900109434   0.88
## 623        NumChlorine -0.2797318141   0.88
## 624  HydrophilicFactor  0.0696293441   0.88
## 625       SurfaceArea1  0.0053537512   0.88
## 626        (Intercept) -0.3867786288   0.87
## 627              FP011  0.1041491854   0.87
## 628              FP039 -0.2038968875   0.87
## 629              FP040  0.3254007084   0.87
## 630              FP043  0.1685895852   0.87
## 631              FP044 -0.5488024859   0.87
## 632              FP050 -0.0038921250   0.87
## 633              FP059 -0.5782751618   0.87
## 634              FP063  0.2850948829   0.87
## 635              FP072  0.4584343590   0.87
## 636              FP073  0.0367867962   0.87
## 637              FP074  0.1163292998   0.87
## 638              FP084  0.0747062300   0.87
## 639              FP094 -0.0567192259   0.87
## 640              FP101  0.0396227725   0.87
## 641              FP111 -0.1283600608   0.87
## 642              FP124  0.0054472012   0.87
## 643              FP135  0.2493512120   0.87
## 644              FP142  0.3342292410   0.87
## 645              FP147  0.0736102979   0.87
## 646              FP172 -0.0404058364   0.87
## 647              FP193 -0.0017617755   0.87
## 648              FP204 -0.2214420681   0.87
## 649              FP206 -0.2355032816   0.87
## 650          MolWeight -0.0071031175   0.87
## 651       NumMultBonds -0.0646492376   0.87
## 652        NumRotBonds -0.0118190474   0.87
## 653          NumCarbon -0.1200727172   0.87
## 654          NumOxygen  0.1361853059   0.87
## 655          NumSulfer -0.0900109434   0.87
## 656        NumChlorine -0.2797318141   0.87
## 657  HydrophilicFactor  0.0696293441   0.87
## 658       SurfaceArea1  0.0053537512   0.87
## 659        (Intercept) -0.3867786288   0.86
## 660              FP011  0.1041491854   0.86
## 661              FP039 -0.2038968875   0.86
## 662              FP040  0.3254007084   0.86
## 663              FP043  0.1685895852   0.86
## 664              FP044 -0.5488024859   0.86
## 665              FP050 -0.0038921250   0.86
## 666              FP059 -0.5782751618   0.86
## 667              FP063  0.2850948829   0.86
## 668              FP072  0.4584343590   0.86
## 669              FP073  0.0367867962   0.86
## 670              FP074  0.1163292998   0.86
## 671              FP084  0.0747062300   0.86
## 672              FP094 -0.0567192259   0.86
## 673              FP101  0.0396227725   0.86
## 674              FP111 -0.1283600608   0.86
## 675              FP124  0.0054472012   0.86
## 676              FP135  0.2493512120   0.86
## 677              FP142  0.3342292410   0.86
## 678              FP147  0.0736102979   0.86
## 679              FP172 -0.0404058364   0.86
## 680              FP193 -0.0017617755   0.86
## 681              FP204 -0.2214420681   0.86
## 682              FP206 -0.2355032816   0.86
## 683          MolWeight -0.0071031175   0.86
## 684       NumMultBonds -0.0646492376   0.86
## 685        NumRotBonds -0.0118190474   0.86
## 686          NumCarbon -0.1200727172   0.86
## 687          NumOxygen  0.1361853059   0.86
## 688          NumSulfer -0.0900109434   0.86
## 689        NumChlorine -0.2797318141   0.86
## 690  HydrophilicFactor  0.0696293441   0.86
## 691       SurfaceArea1  0.0053537512   0.86
## 692        (Intercept) -0.3867786288   0.85
## 693              FP011  0.1041491854   0.85
## 694              FP039 -0.2038968875   0.85
## 695              FP040  0.3254007084   0.85
## 696              FP043  0.1685895852   0.85
## 697              FP044 -0.5488024859   0.85
## 698              FP050 -0.0038921250   0.85
## 699              FP059 -0.5782751618   0.85
## 700              FP063  0.2850948829   0.85
## 701              FP072  0.4584343590   0.85
## 702              FP073  0.0367867962   0.85
## 703              FP074  0.1163292998   0.85
## 704              FP084  0.0747062300   0.85
## 705              FP094 -0.0567192259   0.85
## 706              FP101  0.0396227725   0.85
## 707              FP111 -0.1283600608   0.85
## 708              FP124  0.0054472012   0.85
## 709              FP135  0.2493512120   0.85
## 710              FP142  0.3342292410   0.85
## 711              FP147  0.0736102979   0.85
## 712              FP172 -0.0404058364   0.85
## 713              FP193 -0.0017617755   0.85
## 714              FP204 -0.2214420681   0.85
## 715              FP206 -0.2355032816   0.85
## 716          MolWeight -0.0071031175   0.85
## 717       NumMultBonds -0.0646492376   0.85
## 718        NumRotBonds -0.0118190474   0.85
## 719          NumCarbon -0.1200727172   0.85
## 720          NumOxygen  0.1361853059   0.85
## 721          NumSulfer -0.0900109434   0.85
## 722        NumChlorine -0.2797318141   0.85
## 723  HydrophilicFactor  0.0696293441   0.85
## 724       SurfaceArea1  0.0053537512   0.85
## 725        (Intercept) -0.3867786288   0.84
## 726              FP011  0.1041491854   0.84
## 727              FP039 -0.2038968875   0.84
## 728              FP040  0.3254007084   0.84
## 729              FP043  0.1685895852   0.84
## 730              FP044 -0.5488024859   0.84
## 731              FP050 -0.0038921250   0.84
## 732              FP059 -0.5782751618   0.84
## 733              FP063  0.2850948829   0.84
## 734              FP072  0.4584343590   0.84
## 735              FP073  0.0367867962   0.84
## 736              FP074  0.1163292998   0.84
## 737              FP084  0.0747062300   0.84
## 738              FP094 -0.0567192259   0.84
## 739              FP101  0.0396227725   0.84
## 740              FP111 -0.1283600608   0.84
## 741              FP124  0.0054472012   0.84
## 742              FP135  0.2493512120   0.84
## 743              FP142  0.3342292410   0.84
## 744              FP147  0.0736102979   0.84
## 745              FP172 -0.0404058364   0.84
## 746              FP193 -0.0017617755   0.84
## 747              FP204 -0.2214420681   0.84
## 748              FP206 -0.2355032816   0.84
## 749          MolWeight -0.0071031175   0.84
## 750       NumMultBonds -0.0646492376   0.84
## 751        NumRotBonds -0.0118190474   0.84
## 752          NumCarbon -0.1200727172   0.84
## 753          NumOxygen  0.1361853059   0.84
## 754          NumSulfer -0.0900109434   0.84
## 755        NumChlorine -0.2797318141   0.84
## 756  HydrophilicFactor  0.0696293441   0.84
## 757       SurfaceArea1  0.0053537512   0.84
## 758        (Intercept) -0.3867786288   0.83
## 759              FP011  0.1041491854   0.83
## 760              FP039 -0.2038968875   0.83
## 761              FP040  0.3254007084   0.83
## 762              FP043  0.1685895852   0.83
## 763              FP044 -0.5488024859   0.83
## 764              FP050 -0.0038921250   0.83
## 765              FP059 -0.5782751618   0.83
## 766              FP063  0.2850948829   0.83
## 767              FP072  0.4584343590   0.83
## 768              FP073  0.0367867962   0.83
## 769              FP074  0.1163292998   0.83
## 770              FP084  0.0747062300   0.83
## 771              FP094 -0.0567192259   0.83
## 772              FP101  0.0396227725   0.83
## 773              FP111 -0.1283600608   0.83
## 774              FP124  0.0054472012   0.83
## 775              FP135  0.2493512120   0.83
## 776              FP142  0.3342292410   0.83
## 777              FP147  0.0736102979   0.83
## 778              FP172 -0.0404058364   0.83
## 779              FP193 -0.0017617755   0.83
## 780              FP204 -0.2214420681   0.83
## 781              FP206 -0.2355032816   0.83
## 782          MolWeight -0.0071031175   0.83
## 783       NumMultBonds -0.0646492376   0.83
## 784        NumRotBonds -0.0118190474   0.83
## 785          NumCarbon -0.1200727172   0.83
## 786          NumOxygen  0.1361853059   0.83
## 787          NumSulfer -0.0900109434   0.83
## 788        NumChlorine -0.2797318141   0.83
## 789  HydrophilicFactor  0.0696293441   0.83
## 790       SurfaceArea1  0.0053537512   0.83
## 791        (Intercept) -0.3867786288   0.82
## 792              FP011  0.1041491854   0.82
## 793              FP039 -0.2038968875   0.82
## 794              FP040  0.3254007084   0.82
## 795              FP043  0.1685895852   0.82
## 796              FP044 -0.5488024859   0.82
## 797              FP050 -0.0038921250   0.82
## 798              FP059 -0.5782751618   0.82
## 799              FP063  0.2850948829   0.82
## 800              FP072  0.4584343590   0.82
## 801              FP073  0.0367867962   0.82
## 802              FP074  0.1163292998   0.82
## 803              FP084  0.0747062300   0.82
## 804              FP094 -0.0567192259   0.82
## 805              FP101  0.0396227725   0.82
## 806              FP111 -0.1283600608   0.82
## 807              FP124  0.0054472012   0.82
## 808              FP135  0.2493512120   0.82
## 809              FP142  0.3342292410   0.82
## 810              FP147  0.0736102979   0.82
## 811              FP172 -0.0404058364   0.82
## 812              FP193 -0.0017617755   0.82
## 813              FP204 -0.2214420681   0.82
## 814              FP206 -0.2355032816   0.82
## 815          MolWeight -0.0071031175   0.82
## 816       NumMultBonds -0.0646492376   0.82
## 817        NumRotBonds -0.0118190474   0.82
## 818          NumCarbon -0.1200727172   0.82
## 819          NumOxygen  0.1361853059   0.82
## 820          NumSulfer -0.0900109434   0.82
## 821        NumChlorine -0.2797318141   0.82
## 822  HydrophilicFactor  0.0696293441   0.82
## 823       SurfaceArea1  0.0053537512   0.82
## 824        (Intercept) -0.3867786288   0.81
## 825              FP011  0.1041491854   0.81
## 826              FP039 -0.2038968875   0.81
## 827              FP040  0.3254007084   0.81
## 828              FP043  0.1685895852   0.81
## 829              FP044 -0.5488024859   0.81
## 830              FP050 -0.0038921250   0.81
## 831              FP059 -0.5782751618   0.81
## 832              FP063  0.2850948829   0.81
## 833              FP072  0.4584343590   0.81
## 834              FP073  0.0367867962   0.81
## 835              FP074  0.1163292998   0.81
## 836              FP084  0.0747062300   0.81
## 837              FP094 -0.0567192259   0.81
## 838              FP101  0.0396227725   0.81
## 839              FP111 -0.1283600608   0.81
## 840              FP124  0.0054472012   0.81
## 841              FP135  0.2493512120   0.81
## 842              FP142  0.3342292410   0.81
## 843              FP147  0.0736102979   0.81
## 844              FP172 -0.0404058364   0.81
## 845              FP193 -0.0017617755   0.81
## 846              FP204 -0.2214420681   0.81
## 847              FP206 -0.2355032816   0.81
## 848          MolWeight -0.0071031175   0.81
## 849       NumMultBonds -0.0646492376   0.81
## 850        NumRotBonds -0.0118190474   0.81
## 851          NumCarbon -0.1200727172   0.81
## 852          NumOxygen  0.1361853059   0.81
## 853          NumSulfer -0.0900109434   0.81
## 854        NumChlorine -0.2797318141   0.81
## 855  HydrophilicFactor  0.0696293441   0.81
## 856       SurfaceArea1  0.0053537512   0.81
## 857        (Intercept) -0.3867786288   0.80
## 858              FP011  0.1041491854   0.80
## 859              FP039 -0.2038968875   0.80
## 860              FP040  0.3254007084   0.80
## 861              FP043  0.1685895852   0.80
## 862              FP044 -0.5488024859   0.80
## 863              FP050 -0.0038921250   0.80
## 864              FP059 -0.5782751618   0.80
## 865              FP063  0.2850948829   0.80
## 866              FP072  0.4584343590   0.80
## 867              FP073  0.0367867962   0.80
## 868              FP074  0.1163292998   0.80
## 869              FP084  0.0747062300   0.80
## 870              FP094 -0.0567192259   0.80
## 871              FP101  0.0396227725   0.80
## 872              FP111 -0.1283600608   0.80
## 873              FP124  0.0054472012   0.80
## 874              FP135  0.2493512120   0.80
## 875              FP142  0.3342292410   0.80
## 876              FP147  0.0736102979   0.80
## 877              FP172 -0.0404058364   0.80
## 878              FP193 -0.0017617755   0.80
## 879              FP204 -0.2214420681   0.80
## 880              FP206 -0.2355032816   0.80
## 881          MolWeight -0.0071031175   0.80
## 882       NumMultBonds -0.0646492376   0.80
## 883        NumRotBonds -0.0118190474   0.80
## 884          NumCarbon -0.1200727172   0.80
## 885          NumOxygen  0.1361853059   0.80
## 886          NumSulfer -0.0900109434   0.80
## 887        NumChlorine -0.2797318141   0.80
## 888  HydrophilicFactor  0.0696293441   0.80
## 889       SurfaceArea1  0.0053537512   0.80
## 890        (Intercept) -0.3867786288   0.79
## 891              FP011  0.1041491854   0.79
## 892              FP039 -0.2038968875   0.79
## 893              FP040  0.3254007084   0.79
## 894              FP043  0.1685895852   0.79
## 895              FP044 -0.5488024859   0.79
## 896              FP050 -0.0038921250   0.79
## 897              FP059 -0.5782751618   0.79
## 898              FP063  0.2850948829   0.79
## 899              FP072  0.4584343590   0.79
## 900              FP073  0.0367867962   0.79
## 901              FP074  0.1163292998   0.79
## 902              FP084  0.0747062300   0.79
## 903              FP094 -0.0567192259   0.79
## 904              FP101  0.0396227725   0.79
## 905              FP111 -0.1283600608   0.79
## 906              FP124  0.0054472012   0.79
## 907              FP135  0.2493512120   0.79
## 908              FP142  0.3342292410   0.79
## 909              FP147  0.0736102979   0.79
## 910              FP172 -0.0404058364   0.79
## 911              FP193 -0.0017617755   0.79
## 912              FP204 -0.2214420681   0.79
## 913              FP206 -0.2355032816   0.79
## 914          MolWeight -0.0071031175   0.79
## 915       NumMultBonds -0.0646492376   0.79
## 916        NumRotBonds -0.0118190474   0.79
## 917          NumCarbon -0.1200727172   0.79
## 918          NumOxygen  0.1361853059   0.79
## 919          NumSulfer -0.0900109434   0.79
## 920        NumChlorine -0.2797318141   0.79
## 921  HydrophilicFactor  0.0696293441   0.79
## 922       SurfaceArea1  0.0053537512   0.79
## 923        (Intercept) -0.3867786288   0.78
## 924              FP011  0.1041491854   0.78
## 925              FP039 -0.2038968875   0.78
## 926              FP040  0.3254007084   0.78
## 927              FP043  0.1685895852   0.78
## 928              FP044 -0.5488024859   0.78
## 929              FP050 -0.0038921250   0.78
## 930              FP059 -0.5782751618   0.78
## 931              FP063  0.2850948829   0.78
## 932              FP072  0.4584343590   0.78
## 933              FP073  0.0367867962   0.78
## 934              FP074  0.1163292998   0.78
## 935              FP084  0.0747062300   0.78
## 936              FP094 -0.0567192259   0.78
## 937              FP101  0.0396227725   0.78
## 938              FP111 -0.1283600608   0.78
## 939              FP124  0.0054472012   0.78
## 940              FP135  0.2493512120   0.78
## 941              FP142  0.3342292410   0.78
## 942              FP147  0.0736102979   0.78
## 943              FP172 -0.0404058364   0.78
## 944              FP193 -0.0017617755   0.78
## 945              FP204 -0.2214420681   0.78
## 946              FP206 -0.2355032816   0.78
## 947          MolWeight -0.0071031175   0.78
## 948       NumMultBonds -0.0646492376   0.78
## 949        NumRotBonds -0.0118190474   0.78
## 950          NumCarbon -0.1200727172   0.78
## 951          NumOxygen  0.1361853059   0.78
## 952          NumSulfer -0.0900109434   0.78
## 953        NumChlorine -0.2797318141   0.78
## 954  HydrophilicFactor  0.0696293441   0.78
## 955       SurfaceArea1  0.0053537512   0.78
## 956        (Intercept) -0.3867786288   0.77
## 957              FP011  0.1041491854   0.77
## 958              FP039 -0.2038968875   0.77
## 959              FP040  0.3254007084   0.77
## 960              FP043  0.1685895852   0.77
## 961              FP044 -0.5488024859   0.77
## 962              FP050 -0.0038921250   0.77
## 963              FP059 -0.5782751618   0.77
## 964              FP063  0.2850948829   0.77
## 965              FP072  0.4584343590   0.77
## 966              FP073  0.0367867962   0.77
## 967              FP074  0.1163292998   0.77
## 968              FP084  0.0747062300   0.77
## 969              FP094 -0.0567192259   0.77
## 970              FP101  0.0396227725   0.77
## 971              FP111 -0.1283600608   0.77
## 972              FP124  0.0054472012   0.77
## 973              FP135  0.2493512120   0.77
## 974              FP142  0.3342292410   0.77
## 975              FP147  0.0736102979   0.77
## 976              FP172 -0.0404058364   0.77
## 977              FP193 -0.0017617755   0.77
## 978              FP204 -0.2214420681   0.77
## 979              FP206 -0.2355032816   0.77
## 980          MolWeight -0.0071031175   0.77
## 981       NumMultBonds -0.0646492376   0.77
## 982        NumRotBonds -0.0118190474   0.77
## 983          NumCarbon -0.1200727172   0.77
## 984          NumOxygen  0.1361853059   0.77
## 985          NumSulfer -0.0900109434   0.77
## 986        NumChlorine -0.2797318141   0.77
## 987  HydrophilicFactor  0.0696293441   0.77
## 988       SurfaceArea1  0.0053537512   0.77
## 989        (Intercept) -0.3867786288   0.76
## 990              FP011  0.1041491854   0.76
## 991              FP039 -0.2038968875   0.76
## 992              FP040  0.3254007084   0.76
## 993              FP043  0.1685895852   0.76
## 994              FP044 -0.5488024859   0.76
## 995              FP050 -0.0038921250   0.76
## 996              FP059 -0.5782751618   0.76
## 997              FP063  0.2850948829   0.76
## 998              FP072  0.4584343590   0.76
## 999              FP073  0.0367867962   0.76
## 1000             FP074  0.1163292998   0.76
## 1001             FP084  0.0747062300   0.76
## 1002             FP094 -0.0567192259   0.76
## 1003             FP101  0.0396227725   0.76
## 1004             FP111 -0.1283600608   0.76
## 1005             FP124  0.0054472012   0.76
## 1006             FP135  0.2493512120   0.76
## 1007             FP142  0.3342292410   0.76
## 1008             FP147  0.0736102979   0.76
## 1009             FP172 -0.0404058364   0.76
## 1010             FP193 -0.0017617755   0.76
## 1011             FP204 -0.2214420681   0.76
## 1012             FP206 -0.2355032816   0.76
## 1013         MolWeight -0.0071031175   0.76
## 1014      NumMultBonds -0.0646492376   0.76
## 1015       NumRotBonds -0.0118190474   0.76
## 1016         NumCarbon -0.1200727172   0.76
## 1017         NumOxygen  0.1361853059   0.76
## 1018         NumSulfer -0.0900109434   0.76
## 1019       NumChlorine -0.2797318141   0.76
## 1020 HydrophilicFactor  0.0696293441   0.76
## 1021      SurfaceArea1  0.0053537512   0.76
## 1022       (Intercept) -0.3867786288   0.75
## 1023             FP011  0.1041491854   0.75
## 1024             FP039 -0.2038968875   0.75
## 1025             FP040  0.3254007084   0.75
## 1026             FP043  0.1685895852   0.75
## 1027             FP044 -0.5488024859   0.75
## 1028             FP050 -0.0038921250   0.75
## 1029             FP059 -0.5782751618   0.75
## 1030             FP063  0.2850948829   0.75
## 1031             FP072  0.4584343590   0.75
## 1032             FP073  0.0367867962   0.75
## 1033             FP074  0.1163292998   0.75
## 1034             FP084  0.0747062300   0.75
## 1035             FP094 -0.0567192259   0.75
## 1036             FP101  0.0396227725   0.75
## 1037             FP111 -0.1283600608   0.75
## 1038             FP124  0.0054472012   0.75
## 1039             FP135  0.2493512120   0.75
## 1040             FP142  0.3342292410   0.75
## 1041             FP147  0.0736102979   0.75
## 1042             FP172 -0.0404058364   0.75
## 1043             FP193 -0.0017617755   0.75
## 1044             FP204 -0.2214420681   0.75
## 1045             FP206 -0.2355032816   0.75
## 1046         MolWeight -0.0071031175   0.75
## 1047      NumMultBonds -0.0646492376   0.75
## 1048       NumRotBonds -0.0118190474   0.75
## 1049         NumCarbon -0.1200727172   0.75
## 1050         NumOxygen  0.1361853059   0.75
## 1051         NumSulfer -0.0900109434   0.75
## 1052       NumChlorine -0.2797318141   0.75
## 1053 HydrophilicFactor  0.0696293441   0.75
## 1054      SurfaceArea1  0.0053537512   0.75
## 1055       (Intercept) -0.3867786288   0.74
## 1056             FP011  0.1041491854   0.74
## 1057             FP039 -0.2038968875   0.74
## 1058             FP040  0.3254007084   0.74
## 1059             FP043  0.1685895852   0.74
## 1060             FP044 -0.5488024859   0.74
## 1061             FP050 -0.0038921250   0.74
## 1062             FP059 -0.5782751618   0.74
## 1063             FP063  0.2850948829   0.74
## 1064             FP072  0.4584343590   0.74
## 1065             FP073  0.0367867962   0.74
## 1066             FP074  0.1163292998   0.74
## 1067             FP084  0.0747062300   0.74
## 1068             FP094 -0.0567192259   0.74
## 1069             FP101  0.0396227725   0.74
## 1070             FP111 -0.1283600608   0.74
## 1071             FP124  0.0054472012   0.74
## 1072             FP135  0.2493512120   0.74
## 1073             FP142  0.3342292410   0.74
## 1074             FP147  0.0736102979   0.74
## 1075             FP172 -0.0404058364   0.74
## 1076             FP193 -0.0017617755   0.74
## 1077             FP204 -0.2214420681   0.74
## 1078             FP206 -0.2355032816   0.74
## 1079         MolWeight -0.0071031175   0.74
## 1080      NumMultBonds -0.0646492376   0.74
## 1081       NumRotBonds -0.0118190474   0.74
## 1082         NumCarbon -0.1200727172   0.74
## 1083         NumOxygen  0.1361853059   0.74
## 1084         NumSulfer -0.0900109434   0.74
## 1085       NumChlorine -0.2797318141   0.74
## 1086 HydrophilicFactor  0.0696293441   0.74
## 1087      SurfaceArea1  0.0053537512   0.74
## 1088       (Intercept) -0.3867786288   0.73
## 1089             FP011  0.1041491854   0.73
## 1090             FP039 -0.2038968875   0.73
## 1091             FP040  0.3254007084   0.73
## 1092             FP043  0.1685895852   0.73
## 1093             FP044 -0.5488024859   0.73
## 1094             FP050 -0.0038921250   0.73
## 1095             FP059 -0.5782751618   0.73
## 1096             FP063  0.2850948829   0.73
## 1097             FP072  0.4584343590   0.73
## 1098             FP073  0.0367867962   0.73
## 1099             FP074  0.1163292998   0.73
## 1100             FP084  0.0747062300   0.73
## 1101             FP094 -0.0567192259   0.73
## 1102             FP101  0.0396227725   0.73
## 1103             FP111 -0.1283600608   0.73
## 1104             FP124  0.0054472012   0.73
## 1105             FP135  0.2493512120   0.73
## 1106             FP142  0.3342292410   0.73
## 1107             FP147  0.0736102979   0.73
## 1108             FP172 -0.0404058364   0.73
## 1109             FP193 -0.0017617755   0.73
## 1110             FP204 -0.2214420681   0.73
## 1111             FP206 -0.2355032816   0.73
## 1112         MolWeight -0.0071031175   0.73
## 1113      NumMultBonds -0.0646492376   0.73
## 1114       NumRotBonds -0.0118190474   0.73
## 1115         NumCarbon -0.1200727172   0.73
## 1116         NumOxygen  0.1361853059   0.73
## 1117         NumSulfer -0.0900109434   0.73
## 1118       NumChlorine -0.2797318141   0.73
## 1119 HydrophilicFactor  0.0696293441   0.73
## 1120      SurfaceArea1  0.0053537512   0.73
## 1121       (Intercept) -0.3867786288   0.72
## 1122             FP011  0.1041491854   0.72
## 1123             FP039 -0.2038968875   0.72
## 1124             FP040  0.3254007084   0.72
## 1125             FP043  0.1685895852   0.72
## 1126             FP044 -0.5488024859   0.72
## 1127             FP050 -0.0038921250   0.72
## 1128             FP059 -0.5782751618   0.72
## 1129             FP063  0.2850948829   0.72
## 1130             FP072  0.4584343590   0.72
## 1131             FP073  0.0367867962   0.72
## 1132             FP074  0.1163292998   0.72
## 1133             FP084  0.0747062300   0.72
## 1134             FP094 -0.0567192259   0.72
## 1135             FP101  0.0396227725   0.72
## 1136             FP111 -0.1283600608   0.72
## 1137             FP124  0.0054472012   0.72
## 1138             FP135  0.2493512120   0.72
## 1139             FP142  0.3342292410   0.72
## 1140             FP147  0.0736102979   0.72
## 1141             FP172 -0.0404058364   0.72
## 1142             FP193 -0.0017617755   0.72
## 1143             FP204 -0.2214420681   0.72
## 1144             FP206 -0.2355032816   0.72
## 1145         MolWeight -0.0071031175   0.72
## 1146      NumMultBonds -0.0646492376   0.72
## 1147       NumRotBonds -0.0118190474   0.72
## 1148         NumCarbon -0.1200727172   0.72
## 1149         NumOxygen  0.1361853059   0.72
## 1150         NumSulfer -0.0900109434   0.72
## 1151       NumChlorine -0.2797318141   0.72
## 1152 HydrophilicFactor  0.0696293441   0.72
## 1153      SurfaceArea1  0.0053537512   0.72
## 1154       (Intercept) -0.3867786288   0.71
## 1155             FP011  0.1041491854   0.71
## 1156             FP039 -0.2038968875   0.71
## 1157             FP040  0.3254007084   0.71
## 1158             FP043  0.1685895852   0.71
## 1159             FP044 -0.5488024859   0.71
## 1160             FP050 -0.0038921250   0.71
## 1161             FP059 -0.5782751618   0.71
## 1162             FP063  0.2850948829   0.71
## 1163             FP072  0.4584343590   0.71
## 1164             FP073  0.0367867962   0.71
## 1165             FP074  0.1163292998   0.71
## 1166             FP084  0.0747062300   0.71
## 1167             FP094 -0.0567192259   0.71
## 1168             FP101  0.0396227725   0.71
## 1169             FP111 -0.1283600608   0.71
## 1170             FP124  0.0054472012   0.71
## 1171             FP135  0.2493512120   0.71
## 1172             FP142  0.3342292410   0.71
## 1173             FP147  0.0736102979   0.71
## 1174             FP172 -0.0404058364   0.71
## 1175             FP193 -0.0017617755   0.71
## 1176             FP204 -0.2214420681   0.71
## 1177             FP206 -0.2355032816   0.71
## 1178         MolWeight -0.0071031175   0.71
## 1179      NumMultBonds -0.0646492376   0.71
## 1180       NumRotBonds -0.0118190474   0.71
## 1181         NumCarbon -0.1200727172   0.71
## 1182         NumOxygen  0.1361853059   0.71
## 1183         NumSulfer -0.0900109434   0.71
## 1184       NumChlorine -0.2797318141   0.71
## 1185 HydrophilicFactor  0.0696293441   0.71
## 1186      SurfaceArea1  0.0053537512   0.71
## 1187       (Intercept) -0.3867786288   0.70
## 1188             FP011  0.1041491854   0.70
## 1189             FP039 -0.2038968875   0.70
## 1190             FP040  0.3254007084   0.70
## 1191             FP043  0.1685895852   0.70
## 1192             FP044 -0.5488024859   0.70
## 1193             FP050 -0.0038921250   0.70
## 1194             FP059 -0.5782751618   0.70
## 1195             FP063  0.2850948829   0.70
## 1196             FP072  0.4584343590   0.70
## 1197             FP073  0.0367867962   0.70
## 1198             FP074  0.1163292998   0.70
## 1199             FP084  0.0747062300   0.70
## 1200             FP094 -0.0567192259   0.70
## 1201             FP101  0.0396227725   0.70
## 1202             FP111 -0.1283600608   0.70
## 1203             FP124  0.0054472012   0.70
## 1204             FP135  0.2493512120   0.70
## 1205             FP142  0.3342292410   0.70
## 1206             FP147  0.0736102979   0.70
## 1207             FP172 -0.0404058364   0.70
## 1208             FP193 -0.0017617755   0.70
## 1209             FP204 -0.2214420681   0.70
## 1210             FP206 -0.2355032816   0.70
## 1211         MolWeight -0.0071031175   0.70
## 1212      NumMultBonds -0.0646492376   0.70
## 1213       NumRotBonds -0.0118190474   0.70
## 1214         NumCarbon -0.1200727172   0.70
## 1215         NumOxygen  0.1361853059   0.70
## 1216         NumSulfer -0.0900109434   0.70
## 1217       NumChlorine -0.2797318141   0.70
## 1218 HydrophilicFactor  0.0696293441   0.70
## 1219      SurfaceArea1  0.0053537512   0.70
## 1220       (Intercept) -0.3867786288   0.69
## 1221             FP011  0.1041491854   0.69
## 1222             FP039 -0.2038968875   0.69
## 1223             FP040  0.3254007084   0.69
## 1224             FP043  0.1685895852   0.69
## 1225             FP044 -0.5488024859   0.69
## 1226             FP050 -0.0038921250   0.69
## 1227             FP059 -0.5782751618   0.69
## 1228             FP063  0.2850948829   0.69
## 1229             FP072  0.4584343590   0.69
## 1230             FP073  0.0367867962   0.69
## 1231             FP074  0.1163292998   0.69
## 1232             FP084  0.0747062300   0.69
## 1233             FP094 -0.0567192259   0.69
## 1234             FP101  0.0396227725   0.69
## 1235             FP111 -0.1283600608   0.69
## 1236             FP124  0.0054472012   0.69
## 1237             FP135  0.2493512120   0.69
## 1238             FP142  0.3342292410   0.69
## 1239             FP147  0.0736102979   0.69
## 1240             FP172 -0.0404058364   0.69
## 1241             FP193 -0.0017617755   0.69
## 1242             FP204 -0.2214420681   0.69
## 1243             FP206 -0.2355032816   0.69
## 1244         MolWeight -0.0071031175   0.69
## 1245      NumMultBonds -0.0646492376   0.69
## 1246       NumRotBonds -0.0118190474   0.69
## 1247         NumCarbon -0.1200727172   0.69
## 1248         NumOxygen  0.1361853059   0.69
## 1249         NumSulfer -0.0900109434   0.69
## 1250       NumChlorine -0.2797318141   0.69
## 1251 HydrophilicFactor  0.0696293441   0.69
## 1252      SurfaceArea1  0.0053537512   0.69
## 1253       (Intercept) -0.3867786288   0.68
## 1254             FP011  0.1041491854   0.68
## 1255             FP039 -0.2038968875   0.68
## 1256             FP040  0.3254007084   0.68
## 1257             FP043  0.1685895852   0.68
## 1258             FP044 -0.5488024859   0.68
## 1259             FP050 -0.0038921250   0.68
## 1260             FP059 -0.5782751618   0.68
## 1261             FP063  0.2850948829   0.68
## 1262             FP072  0.4584343590   0.68
## 1263             FP073  0.0367867962   0.68
## 1264             FP074  0.1163292998   0.68
## 1265             FP084  0.0747062300   0.68
## 1266             FP094 -0.0567192259   0.68
## 1267             FP101  0.0396227725   0.68
## 1268             FP111 -0.1283600608   0.68
## 1269             FP124  0.0054472012   0.68
## 1270             FP135  0.2493512120   0.68
## 1271             FP142  0.3342292410   0.68
## 1272             FP147  0.0736102979   0.68
## 1273             FP172 -0.0404058364   0.68
## 1274             FP193 -0.0017617755   0.68
## 1275             FP204 -0.2214420681   0.68
## 1276             FP206 -0.2355032816   0.68
## 1277         MolWeight -0.0071031175   0.68
## 1278      NumMultBonds -0.0646492376   0.68
## 1279       NumRotBonds -0.0118190474   0.68
## 1280         NumCarbon -0.1200727172   0.68
## 1281         NumOxygen  0.1361853059   0.68
## 1282         NumSulfer -0.0900109434   0.68
## 1283       NumChlorine -0.2797318141   0.68
## 1284 HydrophilicFactor  0.0696293441   0.68
## 1285      SurfaceArea1  0.0053537512   0.68
## 1286       (Intercept) -0.3867786288   0.67
## 1287             FP011  0.1041491854   0.67
## 1288             FP039 -0.2038968875   0.67
## 1289             FP040  0.3254007084   0.67
## 1290             FP043  0.1685895852   0.67
## 1291             FP044 -0.5488024859   0.67
## 1292             FP050 -0.0038921250   0.67
## 1293             FP059 -0.5782751618   0.67
## 1294             FP063  0.2850948829   0.67
## 1295             FP072  0.4584343590   0.67
## 1296             FP073  0.0367867962   0.67
## 1297             FP074  0.1163292998   0.67
## 1298             FP084  0.0747062300   0.67
## 1299             FP094 -0.0567192259   0.67
## 1300             FP101  0.0396227725   0.67
## 1301             FP111 -0.1283600608   0.67
## 1302             FP124  0.0054472012   0.67
## 1303             FP135  0.2493512120   0.67
## 1304             FP142  0.3342292410   0.67
## 1305             FP147  0.0736102979   0.67
## 1306             FP172 -0.0404058364   0.67
## 1307             FP193 -0.0017617755   0.67
## 1308             FP204 -0.2214420681   0.67
## 1309             FP206 -0.2355032816   0.67
## 1310         MolWeight -0.0071031175   0.67
## 1311      NumMultBonds -0.0646492376   0.67
## 1312       NumRotBonds -0.0118190474   0.67
## 1313         NumCarbon -0.1200727172   0.67
## 1314         NumOxygen  0.1361853059   0.67
## 1315         NumSulfer -0.0900109434   0.67
## 1316       NumChlorine -0.2797318141   0.67
## 1317 HydrophilicFactor  0.0696293441   0.67
## 1318      SurfaceArea1  0.0053537512   0.67
## 1319       (Intercept) -0.3867786288   0.66
## 1320             FP011  0.1041491854   0.66
## 1321             FP039 -0.2038968875   0.66
## 1322             FP040  0.3254007084   0.66
## 1323             FP043  0.1685895852   0.66
## 1324             FP044 -0.5488024859   0.66
## 1325             FP050 -0.0038921250   0.66
## 1326             FP059 -0.5782751618   0.66
## 1327             FP063  0.2850948829   0.66
## 1328             FP072  0.4584343590   0.66
## 1329             FP073  0.0367867962   0.66
## 1330             FP074  0.1163292998   0.66
## 1331             FP084  0.0747062300   0.66
## 1332             FP094 -0.0567192259   0.66
## 1333             FP101  0.0396227725   0.66
## 1334             FP111 -0.1283600608   0.66
## 1335             FP124  0.0054472012   0.66
## 1336             FP135  0.2493512120   0.66
## 1337             FP142  0.3342292410   0.66
## 1338             FP147  0.0736102979   0.66
## 1339             FP172 -0.0404058364   0.66
## 1340             FP193 -0.0017617755   0.66
## 1341             FP204 -0.2214420681   0.66
## 1342             FP206 -0.2355032816   0.66
## 1343         MolWeight -0.0071031175   0.66
## 1344      NumMultBonds -0.0646492376   0.66
## 1345       NumRotBonds -0.0118190474   0.66
## 1346         NumCarbon -0.1200727172   0.66
## 1347         NumOxygen  0.1361853059   0.66
## 1348         NumSulfer -0.0900109434   0.66
## 1349       NumChlorine -0.2797318141   0.66
## 1350 HydrophilicFactor  0.0696293441   0.66
## 1351      SurfaceArea1  0.0053537512   0.66
## 1352       (Intercept) -0.3867786288   0.65
## 1353             FP011  0.1041491854   0.65
## 1354             FP039 -0.2038968875   0.65
## 1355             FP040  0.3254007084   0.65
## 1356             FP043  0.1685895852   0.65
## 1357             FP044 -0.5488024859   0.65
## 1358             FP050 -0.0038921250   0.65
## 1359             FP059 -0.5782751618   0.65
## 1360             FP063  0.2850948829   0.65
## 1361             FP072  0.4584343590   0.65
## 1362             FP073  0.0367867962   0.65
## 1363             FP074  0.1163292998   0.65
## 1364             FP084  0.0747062300   0.65
## 1365             FP094 -0.0567192259   0.65
## 1366             FP101  0.0396227725   0.65
## 1367             FP111 -0.1283600608   0.65
## 1368             FP124  0.0054472012   0.65
## 1369             FP135  0.2493512120   0.65
## 1370             FP142  0.3342292410   0.65
## 1371             FP147  0.0736102979   0.65
## 1372             FP172 -0.0404058364   0.65
## 1373             FP193 -0.0017617755   0.65
## 1374             FP204 -0.2214420681   0.65
## 1375             FP206 -0.2355032816   0.65
## 1376         MolWeight -0.0071031175   0.65
## 1377      NumMultBonds -0.0646492376   0.65
## 1378       NumRotBonds -0.0118190474   0.65
## 1379         NumCarbon -0.1200727172   0.65
## 1380         NumOxygen  0.1361853059   0.65
## 1381         NumSulfer -0.0900109434   0.65
## 1382       NumChlorine -0.2797318141   0.65
## 1383 HydrophilicFactor  0.0696293441   0.65
## 1384      SurfaceArea1  0.0053537512   0.65
## 1385       (Intercept) -0.3867786288   0.64
## 1386             FP011  0.1041491854   0.64
## 1387             FP039 -0.2038968875   0.64
## 1388             FP040  0.3254007084   0.64
## 1389             FP043  0.1685895852   0.64
## 1390             FP044 -0.5488024859   0.64
## 1391             FP050 -0.0038921250   0.64
## 1392             FP059 -0.5782751618   0.64
## 1393             FP063  0.2850948829   0.64
## 1394             FP072  0.4584343590   0.64
## 1395             FP073  0.0367867962   0.64
## 1396             FP074  0.1163292998   0.64
## 1397             FP084  0.0747062300   0.64
## 1398             FP094 -0.0567192259   0.64
## 1399             FP101  0.0396227725   0.64
## 1400             FP111 -0.1283600608   0.64
## 1401             FP124  0.0054472012   0.64
## 1402             FP135  0.2493512120   0.64
## 1403             FP142  0.3342292410   0.64
## 1404             FP147  0.0736102979   0.64
## 1405             FP172 -0.0404058364   0.64
## 1406             FP193 -0.0017617755   0.64
## 1407             FP204 -0.2214420681   0.64
## 1408             FP206 -0.2355032816   0.64
## 1409         MolWeight -0.0071031175   0.64
## 1410      NumMultBonds -0.0646492376   0.64
## 1411       NumRotBonds -0.0118190474   0.64
## 1412         NumCarbon -0.1200727172   0.64
## 1413         NumOxygen  0.1361853059   0.64
## 1414         NumSulfer -0.0900109434   0.64
## 1415       NumChlorine -0.2797318141   0.64
## 1416 HydrophilicFactor  0.0696293441   0.64
## 1417      SurfaceArea1  0.0053537512   0.64
## 1418       (Intercept) -0.3867786288   0.63
## 1419             FP011  0.1041491854   0.63
## 1420             FP039 -0.2038968875   0.63
## 1421             FP040  0.3254007084   0.63
## 1422             FP043  0.1685895852   0.63
## 1423             FP044 -0.5488024859   0.63
## 1424             FP050 -0.0038921250   0.63
## 1425             FP059 -0.5782751618   0.63
## 1426             FP063  0.2850948829   0.63
## 1427             FP072  0.4584343590   0.63
## 1428             FP073  0.0367867962   0.63
## 1429             FP074  0.1163292998   0.63
## 1430             FP084  0.0747062300   0.63
## 1431             FP094 -0.0567192259   0.63
## 1432             FP101  0.0396227725   0.63
## 1433             FP111 -0.1283600608   0.63
## 1434             FP124  0.0054472012   0.63
## 1435             FP135  0.2493512120   0.63
## 1436             FP142  0.3342292410   0.63
## 1437             FP147  0.0736102979   0.63
## 1438             FP172 -0.0404058364   0.63
## 1439             FP193 -0.0017617755   0.63
## 1440             FP204 -0.2214420681   0.63
## 1441             FP206 -0.2355032816   0.63
## 1442         MolWeight -0.0071031175   0.63
## 1443      NumMultBonds -0.0646492376   0.63
## 1444       NumRotBonds -0.0118190474   0.63
## 1445         NumCarbon -0.1200727172   0.63
## 1446         NumOxygen  0.1361853059   0.63
## 1447         NumSulfer -0.0900109434   0.63
## 1448       NumChlorine -0.2797318141   0.63
## 1449 HydrophilicFactor  0.0696293441   0.63
## 1450      SurfaceArea1  0.0053537512   0.63
## 1451       (Intercept) -0.3867786288   0.62
## 1452             FP011  0.1041491854   0.62
## 1453             FP039 -0.2038968875   0.62
## 1454             FP040  0.3254007084   0.62
## 1455             FP043  0.1685895852   0.62
## 1456             FP044 -0.5488024859   0.62
## 1457             FP050 -0.0038921250   0.62
## 1458             FP059 -0.5782751618   0.62
## 1459             FP063  0.2850948829   0.62
## 1460             FP072  0.4584343590   0.62
## 1461             FP073  0.0367867962   0.62
## 1462             FP074  0.1163292998   0.62
## 1463             FP084  0.0747062300   0.62
## 1464             FP094 -0.0567192259   0.62
## 1465             FP101  0.0396227725   0.62
## 1466             FP111 -0.1283600608   0.62
## 1467             FP124  0.0054472012   0.62
## 1468             FP135  0.2493512120   0.62
## 1469             FP142  0.3342292410   0.62
## 1470             FP147  0.0736102979   0.62
## 1471             FP172 -0.0404058364   0.62
## 1472             FP193 -0.0017617755   0.62
## 1473             FP204 -0.2214420681   0.62
## 1474             FP206 -0.2355032816   0.62
## 1475         MolWeight -0.0071031175   0.62
## 1476      NumMultBonds -0.0646492376   0.62
## 1477       NumRotBonds -0.0118190474   0.62
## 1478         NumCarbon -0.1200727172   0.62
## 1479         NumOxygen  0.1361853059   0.62
## 1480         NumSulfer -0.0900109434   0.62
## 1481       NumChlorine -0.2797318141   0.62
## 1482 HydrophilicFactor  0.0696293441   0.62
## 1483      SurfaceArea1  0.0053537512   0.62
## 1484       (Intercept) -0.3867786288   0.61
## 1485             FP011  0.1041491854   0.61
## 1486             FP039 -0.2038968875   0.61
## 1487             FP040  0.3254007084   0.61
## 1488             FP043  0.1685895852   0.61
## 1489             FP044 -0.5488024859   0.61
## 1490             FP050 -0.0038921250   0.61
## 1491             FP059 -0.5782751618   0.61
## 1492             FP063  0.2850948829   0.61
## 1493             FP072  0.4584343590   0.61
## 1494             FP073  0.0367867962   0.61
## 1495             FP074  0.1163292998   0.61
## 1496             FP084  0.0747062300   0.61
## 1497             FP094 -0.0567192259   0.61
## 1498             FP101  0.0396227725   0.61
## 1499             FP111 -0.1283600608   0.61
## 1500             FP124  0.0054472012   0.61
## 1501             FP135  0.2493512120   0.61
## 1502             FP142  0.3342292410   0.61
## 1503             FP147  0.0736102979   0.61
## 1504             FP172 -0.0404058364   0.61
## 1505             FP193 -0.0017617755   0.61
## 1506             FP204 -0.2214420681   0.61
## 1507             FP206 -0.2355032816   0.61
## 1508         MolWeight -0.0071031175   0.61
## 1509      NumMultBonds -0.0646492376   0.61
## 1510       NumRotBonds -0.0118190474   0.61
## 1511         NumCarbon -0.1200727172   0.61
## 1512         NumOxygen  0.1361853059   0.61
## 1513         NumSulfer -0.0900109434   0.61
## 1514       NumChlorine -0.2797318141   0.61
## 1515 HydrophilicFactor  0.0696293441   0.61
## 1516      SurfaceArea1  0.0053537512   0.61
## 1517       (Intercept) -0.3867786288   0.60
## 1518             FP011  0.1041491854   0.60
## 1519             FP039 -0.2038968875   0.60
## 1520             FP040  0.3254007084   0.60
## 1521             FP043  0.1685895852   0.60
## 1522             FP044 -0.5488024859   0.60
## 1523             FP050 -0.0038921250   0.60
## 1524             FP059 -0.5782751618   0.60
## 1525             FP063  0.2850948829   0.60
## 1526             FP072  0.4584343590   0.60
## 1527             FP073  0.0367867962   0.60
## 1528             FP074  0.1163292998   0.60
## 1529             FP084  0.0747062300   0.60
## 1530             FP094 -0.0567192259   0.60
## 1531             FP101  0.0396227725   0.60
## 1532             FP111 -0.1283600608   0.60
## 1533             FP124  0.0054472012   0.60
## 1534             FP135  0.2493512120   0.60
## 1535             FP142  0.3342292410   0.60
## 1536             FP147  0.0736102979   0.60
## 1537             FP172 -0.0404058364   0.60
## 1538             FP193 -0.0017617755   0.60
## 1539             FP204 -0.2214420681   0.60
## 1540             FP206 -0.2355032816   0.60
## 1541         MolWeight -0.0071031175   0.60
## 1542      NumMultBonds -0.0646492376   0.60
## 1543       NumRotBonds -0.0118190474   0.60
## 1544         NumCarbon -0.1200727172   0.60
## 1545         NumOxygen  0.1361853059   0.60
## 1546         NumSulfer -0.0900109434   0.60
## 1547       NumChlorine -0.2797318141   0.60
## 1548 HydrophilicFactor  0.0696293441   0.60
## 1549      SurfaceArea1  0.0053537512   0.60
## 1550       (Intercept) -0.3867786288   0.59
## 1551             FP011  0.1041491854   0.59
## 1552             FP039 -0.2038968875   0.59
## 1553             FP040  0.3254007084   0.59
## 1554             FP043  0.1685895852   0.59
## 1555             FP044 -0.5488024859   0.59
## 1556             FP050 -0.0038921250   0.59
## 1557             FP059 -0.5782751618   0.59
## 1558             FP063  0.2850948829   0.59
## 1559             FP072  0.4584343590   0.59
## 1560             FP073  0.0367867962   0.59
## 1561             FP074  0.1163292998   0.59
## 1562             FP084  0.0747062300   0.59
## 1563             FP094 -0.0567192259   0.59
## 1564             FP101  0.0396227725   0.59
## 1565             FP111 -0.1283600608   0.59
## 1566             FP124  0.0054472012   0.59
## 1567             FP135  0.2493512120   0.59
## 1568             FP142  0.3342292410   0.59
## 1569             FP147  0.0736102979   0.59
## 1570             FP172 -0.0404058364   0.59
## 1571             FP193 -0.0017617755   0.59
## 1572             FP204 -0.2214420681   0.59
## 1573             FP206 -0.2355032816   0.59
## 1574         MolWeight -0.0071031175   0.59
## 1575      NumMultBonds -0.0646492376   0.59
## 1576       NumRotBonds -0.0118190474   0.59
## 1577         NumCarbon -0.1200727172   0.59
## 1578         NumOxygen  0.1361853059   0.59
## 1579         NumSulfer -0.0900109434   0.59
## 1580       NumChlorine -0.2797318141   0.59
## 1581 HydrophilicFactor  0.0696293441   0.59
## 1582      SurfaceArea1  0.0053537512   0.59
## 1583       (Intercept) -0.3867786288   0.58
## 1584             FP011  0.1041491854   0.58
## 1585             FP039 -0.2038968875   0.58
## 1586             FP040  0.3254007084   0.58
## 1587             FP043  0.1685895852   0.58
## 1588             FP044 -0.5488024859   0.58
## 1589             FP050 -0.0038921250   0.58
## 1590             FP059 -0.5782751618   0.58
## 1591             FP063  0.2850948829   0.58
## 1592             FP072  0.4584343590   0.58
## 1593             FP073  0.0367867962   0.58
## 1594             FP074  0.1163292998   0.58
## 1595             FP084  0.0747062300   0.58
## 1596             FP094 -0.0567192259   0.58
## 1597             FP101  0.0396227725   0.58
## 1598             FP111 -0.1283600608   0.58
## 1599             FP124  0.0054472012   0.58
## 1600             FP135  0.2493512120   0.58
## 1601             FP142  0.3342292410   0.58
## 1602             FP147  0.0736102979   0.58
## 1603             FP172 -0.0404058364   0.58
## 1604             FP193 -0.0017617755   0.58
## 1605             FP204 -0.2214420681   0.58
## 1606             FP206 -0.2355032816   0.58
## 1607         MolWeight -0.0071031175   0.58
## 1608      NumMultBonds -0.0646492376   0.58
## 1609       NumRotBonds -0.0118190474   0.58
## 1610         NumCarbon -0.1200727172   0.58
## 1611         NumOxygen  0.1361853059   0.58
## 1612         NumSulfer -0.0900109434   0.58
## 1613       NumChlorine -0.2797318141   0.58
## 1614 HydrophilicFactor  0.0696293441   0.58
## 1615      SurfaceArea1  0.0053537512   0.58
## 1616       (Intercept) -0.3867786288   0.57
## 1617             FP011  0.1041491854   0.57
## 1618             FP039 -0.2038968875   0.57
## 1619             FP040  0.3254007084   0.57
## 1620             FP043  0.1685895852   0.57
## 1621             FP044 -0.5488024859   0.57
## 1622             FP050 -0.0038921250   0.57
## 1623             FP059 -0.5782751618   0.57
## 1624             FP063  0.2850948829   0.57
## 1625             FP072  0.4584343590   0.57
## 1626             FP073  0.0367867962   0.57
## 1627             FP074  0.1163292998   0.57
## 1628             FP084  0.0747062300   0.57
## 1629             FP094 -0.0567192259   0.57
## 1630             FP101  0.0396227725   0.57
## 1631             FP111 -0.1283600608   0.57
## 1632             FP124  0.0054472012   0.57
## 1633             FP135  0.2493512120   0.57
## 1634             FP142  0.3342292410   0.57
## 1635             FP147  0.0736102979   0.57
## 1636             FP172 -0.0404058364   0.57
## 1637             FP193 -0.0017617755   0.57
## 1638             FP204 -0.2214420681   0.57
## 1639             FP206 -0.2355032816   0.57
## 1640         MolWeight -0.0071031175   0.57
## 1641      NumMultBonds -0.0646492376   0.57
## 1642       NumRotBonds -0.0118190474   0.57
## 1643         NumCarbon -0.1200727172   0.57
## 1644         NumOxygen  0.1361853059   0.57
## 1645         NumSulfer -0.0900109434   0.57
## 1646       NumChlorine -0.2797318141   0.57
## 1647 HydrophilicFactor  0.0696293441   0.57
## 1648      SurfaceArea1  0.0053537512   0.57
## 1649       (Intercept) -0.3867786288   0.56
## 1650             FP011  0.1041491854   0.56
## 1651             FP039 -0.2038968875   0.56
## 1652             FP040  0.3254007084   0.56
## 1653             FP043  0.1685895852   0.56
## 1654             FP044 -0.5488024859   0.56
## 1655             FP050 -0.0038921250   0.56
## 1656             FP059 -0.5782751618   0.56
## 1657             FP063  0.2850948829   0.56
## 1658             FP072  0.4584343590   0.56
## 1659             FP073  0.0367867962   0.56
## 1660             FP074  0.1163292998   0.56
## 1661             FP084  0.0747062300   0.56
## 1662             FP094 -0.0567192259   0.56
## 1663             FP101  0.0396227725   0.56
## 1664             FP111 -0.1283600608   0.56
## 1665             FP124  0.0054472012   0.56
## 1666             FP135  0.2493512120   0.56
## 1667             FP142  0.3342292410   0.56
## 1668             FP147  0.0736102979   0.56
## 1669             FP172 -0.0404058364   0.56
## 1670             FP193 -0.0017617755   0.56
## 1671             FP204 -0.2214420681   0.56
## 1672             FP206 -0.2355032816   0.56
## 1673         MolWeight -0.0071031175   0.56
## 1674      NumMultBonds -0.0646492376   0.56
## 1675       NumRotBonds -0.0118190474   0.56
## 1676         NumCarbon -0.1200727172   0.56
## 1677         NumOxygen  0.1361853059   0.56
## 1678         NumSulfer -0.0900109434   0.56
## 1679       NumChlorine -0.2797318141   0.56
## 1680 HydrophilicFactor  0.0696293441   0.56
## 1681      SurfaceArea1  0.0053537512   0.56
## 1682       (Intercept) -0.3867786288   0.55
## 1683             FP011  0.1041491854   0.55
## 1684             FP039 -0.2038968875   0.55
## 1685             FP040  0.3254007084   0.55
## 1686             FP043  0.1685895852   0.55
## 1687             FP044 -0.5488024859   0.55
## 1688             FP050 -0.0038921250   0.55
## 1689             FP059 -0.5782751618   0.55
## 1690             FP063  0.2850948829   0.55
## 1691             FP072  0.4584343590   0.55
## 1692             FP073  0.0367867962   0.55
## 1693             FP074  0.1163292998   0.55
## 1694             FP084  0.0747062300   0.55
## 1695             FP094 -0.0567192259   0.55
## 1696             FP101  0.0396227725   0.55
## 1697             FP111 -0.1283600608   0.55
## 1698             FP124  0.0054472012   0.55
## 1699             FP135  0.2493512120   0.55
## 1700             FP142  0.3342292410   0.55
## 1701             FP147  0.0736102979   0.55
## 1702             FP172 -0.0404058364   0.55
## 1703             FP193 -0.0017617755   0.55
## 1704             FP204 -0.2214420681   0.55
## 1705             FP206 -0.2355032816   0.55
## 1706         MolWeight -0.0071031175   0.55
## 1707      NumMultBonds -0.0646492376   0.55
## 1708       NumRotBonds -0.0118190474   0.55
## 1709         NumCarbon -0.1200727172   0.55
## 1710         NumOxygen  0.1361853059   0.55
## 1711         NumSulfer -0.0900109434   0.55
## 1712       NumChlorine -0.2797318141   0.55
## 1713 HydrophilicFactor  0.0696293441   0.55
## 1714      SurfaceArea1  0.0053537512   0.55
## 1715       (Intercept) -0.3867786288   0.54
## 1716             FP011  0.1041491854   0.54
## 1717             FP039 -0.2038968875   0.54
## 1718             FP040  0.3254007084   0.54
## 1719             FP043  0.1685895852   0.54
## 1720             FP044 -0.5488024859   0.54
## 1721             FP050 -0.0038921250   0.54
## 1722             FP059 -0.5782751618   0.54
## 1723             FP063  0.2850948829   0.54
## 1724             FP072  0.4584343590   0.54
## 1725             FP073  0.0367867962   0.54
## 1726             FP074  0.1163292998   0.54
## 1727             FP084  0.0747062300   0.54
## 1728             FP094 -0.0567192259   0.54
## 1729             FP101  0.0396227725   0.54
## 1730             FP111 -0.1283600608   0.54
## 1731             FP124  0.0054472012   0.54
## 1732             FP135  0.2493512120   0.54
## 1733             FP142  0.3342292410   0.54
## 1734             FP147  0.0736102979   0.54
## 1735             FP172 -0.0404058364   0.54
## 1736             FP193 -0.0017617755   0.54
## 1737             FP204 -0.2214420681   0.54
## 1738             FP206 -0.2355032816   0.54
## 1739         MolWeight -0.0071031175   0.54
## 1740      NumMultBonds -0.0646492376   0.54
## 1741       NumRotBonds -0.0118190474   0.54
## 1742         NumCarbon -0.1200727172   0.54
## 1743         NumOxygen  0.1361853059   0.54
## 1744         NumSulfer -0.0900109434   0.54
## 1745       NumChlorine -0.2797318141   0.54
## 1746 HydrophilicFactor  0.0696293441   0.54
## 1747      SurfaceArea1  0.0053537512   0.54
## 1748       (Intercept) -0.3867786288   0.53
## 1749             FP011  0.1041491854   0.53
## 1750             FP039 -0.2038968875   0.53
## 1751             FP040  0.3254007084   0.53
## 1752             FP043  0.1685895852   0.53
## 1753             FP044 -0.5488024859   0.53
## 1754             FP050 -0.0038921250   0.53
## 1755             FP059 -0.5782751618   0.53
## 1756             FP063  0.2850948829   0.53
## 1757             FP072  0.4584343590   0.53
## 1758             FP073  0.0367867962   0.53
## 1759             FP074  0.1163292998   0.53
## 1760             FP084  0.0747062300   0.53
## 1761             FP094 -0.0567192259   0.53
## 1762             FP101  0.0396227725   0.53
## 1763             FP111 -0.1283600608   0.53
## 1764             FP124  0.0054472012   0.53
## 1765             FP135  0.2493512120   0.53
## 1766             FP142  0.3342292410   0.53
## 1767             FP147  0.0736102979   0.53
## 1768             FP172 -0.0404058364   0.53
## 1769             FP193 -0.0017617755   0.53
## 1770             FP204 -0.2214420681   0.53
## 1771             FP206 -0.2355032816   0.53
## 1772         MolWeight -0.0071031175   0.53
## 1773      NumMultBonds -0.0646492376   0.53
## 1774       NumRotBonds -0.0118190474   0.53
## 1775         NumCarbon -0.1200727172   0.53
## 1776         NumOxygen  0.1361853059   0.53
## 1777         NumSulfer -0.0900109434   0.53
## 1778       NumChlorine -0.2797318141   0.53
## 1779 HydrophilicFactor  0.0696293441   0.53
## 1780      SurfaceArea1  0.0053537512   0.53
## 1781       (Intercept) -0.3867786288   0.52
## 1782             FP011  0.1041491854   0.52
## 1783             FP039 -0.2038968875   0.52
## 1784             FP040  0.3254007084   0.52
## 1785             FP043  0.1685895852   0.52
## 1786             FP044 -0.5488024859   0.52
## 1787             FP050 -0.0038921250   0.52
## 1788             FP059 -0.5782751618   0.52
## 1789             FP063  0.2850948829   0.52
## 1790             FP072  0.4584343590   0.52
## 1791             FP073  0.0367867962   0.52
## 1792             FP074  0.1163292998   0.52
## 1793             FP084  0.0747062300   0.52
## 1794             FP094 -0.0567192259   0.52
## 1795             FP101  0.0396227725   0.52
## 1796             FP111 -0.1283600608   0.52
## 1797             FP124  0.0054472012   0.52
## 1798             FP135  0.2493512120   0.52
## 1799             FP142  0.3342292410   0.52
## 1800             FP147  0.0736102979   0.52
## 1801             FP172 -0.0404058364   0.52
## 1802             FP193 -0.0017617755   0.52
## 1803             FP204 -0.2214420681   0.52
## 1804             FP206 -0.2355032816   0.52
## 1805         MolWeight -0.0071031175   0.52
## 1806      NumMultBonds -0.0646492376   0.52
## 1807       NumRotBonds -0.0118190474   0.52
## 1808         NumCarbon -0.1200727172   0.52
## 1809         NumOxygen  0.1361853059   0.52
## 1810         NumSulfer -0.0900109434   0.52
## 1811       NumChlorine -0.2797318141   0.52
## 1812 HydrophilicFactor  0.0696293441   0.52
## 1813      SurfaceArea1  0.0053537512   0.52
## 1814       (Intercept) -0.3867786288   0.51
## 1815             FP011  0.1041491854   0.51
## 1816             FP039 -0.2038968875   0.51
## 1817             FP040  0.3254007084   0.51
## 1818             FP043  0.1685895852   0.51
## 1819             FP044 -0.5488024859   0.51
## 1820             FP050 -0.0038921250   0.51
## 1821             FP059 -0.5782751618   0.51
## 1822             FP063  0.2850948829   0.51
## 1823             FP072  0.4584343590   0.51
## 1824             FP073  0.0367867962   0.51
## 1825             FP074  0.1163292998   0.51
## 1826             FP084  0.0747062300   0.51
## 1827             FP094 -0.0567192259   0.51
## 1828             FP101  0.0396227725   0.51
## 1829             FP111 -0.1283600608   0.51
## 1830             FP124  0.0054472012   0.51
## 1831             FP135  0.2493512120   0.51
## 1832             FP142  0.3342292410   0.51
## 1833             FP147  0.0736102979   0.51
## 1834             FP172 -0.0404058364   0.51
## 1835             FP193 -0.0017617755   0.51
## 1836             FP204 -0.2214420681   0.51
## 1837             FP206 -0.2355032816   0.51
## 1838         MolWeight -0.0071031175   0.51
## 1839      NumMultBonds -0.0646492376   0.51
## 1840       NumRotBonds -0.0118190474   0.51
## 1841         NumCarbon -0.1200727172   0.51
## 1842         NumOxygen  0.1361853059   0.51
## 1843         NumSulfer -0.0900109434   0.51
## 1844       NumChlorine -0.2797318141   0.51
## 1845 HydrophilicFactor  0.0696293441   0.51
## 1846      SurfaceArea1  0.0053537512   0.51
## 1847       (Intercept) -0.3867786288   0.50
## 1848             FP011  0.1041491854   0.50
## 1849             FP039 -0.2038968875   0.50
## 1850             FP040  0.3254007084   0.50
## 1851             FP043  0.1685895852   0.50
## 1852             FP044 -0.5488024859   0.50
## 1853             FP050 -0.0038921250   0.50
## 1854             FP059 -0.5782751618   0.50
## 1855             FP063  0.2850948829   0.50
## 1856             FP072  0.4584343590   0.50
## 1857             FP073  0.0367867962   0.50
## 1858             FP074  0.1163292998   0.50
## 1859             FP084  0.0747062300   0.50
## 1860             FP094 -0.0567192259   0.50
## 1861             FP101  0.0396227725   0.50
## 1862             FP111 -0.1283600608   0.50
## 1863             FP124  0.0054472012   0.50
## 1864             FP135  0.2493512120   0.50
## 1865             FP142  0.3342292410   0.50
## 1866             FP147  0.0736102979   0.50
## 1867             FP172 -0.0404058364   0.50
## 1868             FP193 -0.0017617755   0.50
## 1869             FP204 -0.2214420681   0.50
## 1870             FP206 -0.2355032816   0.50
## 1871         MolWeight -0.0071031175   0.50
## 1872      NumMultBonds -0.0646492376   0.50
## 1873       NumRotBonds -0.0118190474   0.50
## 1874         NumCarbon -0.1200727172   0.50
## 1875         NumOxygen  0.1361853059   0.50
## 1876         NumSulfer -0.0900109434   0.50
## 1877       NumChlorine -0.2797318141   0.50
## 1878 HydrophilicFactor  0.0696293441   0.50
## 1879      SurfaceArea1  0.0053537512   0.50
## 1880       (Intercept) -0.3867786288   0.49
## 1881             FP011  0.1041491854   0.49
## 1882             FP039 -0.2038968875   0.49
## 1883             FP040  0.3254007084   0.49
## 1884             FP043  0.1685895852   0.49
## 1885             FP044 -0.5488024859   0.49
## 1886             FP050 -0.0038921250   0.49
## 1887             FP059 -0.5782751618   0.49
## 1888             FP063  0.2850948829   0.49
## 1889             FP072  0.4584343590   0.49
## 1890             FP073  0.0367867962   0.49
## 1891             FP074  0.1163292998   0.49
## 1892             FP084  0.0747062300   0.49
## 1893             FP094 -0.0567192259   0.49
## 1894             FP101  0.0396227725   0.49
## 1895             FP111 -0.1283600608   0.49
## 1896             FP124  0.0054472012   0.49
## 1897             FP135  0.2493512120   0.49
## 1898             FP142  0.3342292410   0.49
## 1899             FP147  0.0736102979   0.49
## 1900             FP172 -0.0404058364   0.49
## 1901             FP193 -0.0017617755   0.49
## 1902             FP204 -0.2214420681   0.49
## 1903             FP206 -0.2355032816   0.49
## 1904         MolWeight -0.0071031175   0.49
## 1905      NumMultBonds -0.0646492376   0.49
## 1906       NumRotBonds -0.0118190474   0.49
## 1907         NumCarbon -0.1200727172   0.49
## 1908         NumOxygen  0.1361853059   0.49
## 1909         NumSulfer -0.0900109434   0.49
## 1910       NumChlorine -0.2797318141   0.49
## 1911 HydrophilicFactor  0.0696293441   0.49
## 1912      SurfaceArea1  0.0053537512   0.49
## 1913       (Intercept) -0.3867786288   0.48
## 1914             FP011  0.1041491854   0.48
## 1915             FP039 -0.2038968875   0.48
## 1916             FP040  0.3254007084   0.48
## 1917             FP043  0.1685895852   0.48
## 1918             FP044 -0.5488024859   0.48
## 1919             FP050 -0.0038921250   0.48
## 1920             FP059 -0.5782751618   0.48
## 1921             FP063  0.2850948829   0.48
## 1922             FP072  0.4584343590   0.48
## 1923             FP073  0.0367867962   0.48
## 1924             FP074  0.1163292998   0.48
## 1925             FP084  0.0747062300   0.48
## 1926             FP094 -0.0567192259   0.48
## 1927             FP101  0.0396227725   0.48
## 1928             FP111 -0.1283600608   0.48
## 1929             FP124  0.0054472012   0.48
## 1930             FP135  0.2493512120   0.48
## 1931             FP142  0.3342292410   0.48
## 1932             FP147  0.0736102979   0.48
## 1933             FP172 -0.0404058364   0.48
## 1934             FP193 -0.0017617755   0.48
## 1935             FP204 -0.2214420681   0.48
## 1936             FP206 -0.2355032816   0.48
## 1937         MolWeight -0.0071031175   0.48
## 1938      NumMultBonds -0.0646492376   0.48
## 1939       NumRotBonds -0.0118190474   0.48
## 1940         NumCarbon -0.1200727172   0.48
## 1941         NumOxygen  0.1361853059   0.48
## 1942         NumSulfer -0.0900109434   0.48
## 1943       NumChlorine -0.2797318141   0.48
## 1944 HydrophilicFactor  0.0696293441   0.48
## 1945      SurfaceArea1  0.0053537512   0.48
## 1946       (Intercept) -0.3867786288   0.47
## 1947             FP011  0.1041491854   0.47
## 1948             FP039 -0.2038968875   0.47
## 1949             FP040  0.3254007084   0.47
## 1950             FP043  0.1685895852   0.47
## 1951             FP044 -0.5488024859   0.47
## 1952             FP050 -0.0038921250   0.47
## 1953             FP059 -0.5782751618   0.47
## 1954             FP063  0.2850948829   0.47
## 1955             FP072  0.4584343590   0.47
## 1956             FP073  0.0367867962   0.47
## 1957             FP074  0.1163292998   0.47
## 1958             FP084  0.0747062300   0.47
## 1959             FP094 -0.0567192259   0.47
## 1960             FP101  0.0396227725   0.47
## 1961             FP111 -0.1283600608   0.47
## 1962             FP124  0.0054472012   0.47
## 1963             FP135  0.2493512120   0.47
## 1964             FP142  0.3342292410   0.47
## 1965             FP147  0.0736102979   0.47
## 1966             FP172 -0.0404058364   0.47
## 1967             FP193 -0.0017617755   0.47
## 1968             FP204 -0.2214420681   0.47
## 1969             FP206 -0.2355032816   0.47
## 1970         MolWeight -0.0071031175   0.47
## 1971      NumMultBonds -0.0646492376   0.47
## 1972       NumRotBonds -0.0118190474   0.47
## 1973         NumCarbon -0.1200727172   0.47
## 1974         NumOxygen  0.1361853059   0.47
## 1975         NumSulfer -0.0900109434   0.47
## 1976       NumChlorine -0.2797318141   0.47
## 1977 HydrophilicFactor  0.0696293441   0.47
## 1978      SurfaceArea1  0.0053537512   0.47
## 1979       (Intercept) -0.3867786288   0.46
## 1980             FP011  0.1041491854   0.46
## 1981             FP039 -0.2038968875   0.46
## 1982             FP040  0.3254007084   0.46
## 1983             FP043  0.1685895852   0.46
## 1984             FP044 -0.5488024859   0.46
## 1985             FP050 -0.0038921250   0.46
## 1986             FP059 -0.5782751618   0.46
## 1987             FP063  0.2850948829   0.46
## 1988             FP072  0.4584343590   0.46
## 1989             FP073  0.0367867962   0.46
## 1990             FP074  0.1163292998   0.46
## 1991             FP084  0.0747062300   0.46
## 1992             FP094 -0.0567192259   0.46
## 1993             FP101  0.0396227725   0.46
## 1994             FP111 -0.1283600608   0.46
## 1995             FP124  0.0054472012   0.46
## 1996             FP135  0.2493512120   0.46
## 1997             FP142  0.3342292410   0.46
## 1998             FP147  0.0736102979   0.46
## 1999             FP172 -0.0404058364   0.46
## 2000             FP193 -0.0017617755   0.46
## 2001             FP204 -0.2214420681   0.46
## 2002             FP206 -0.2355032816   0.46
## 2003         MolWeight -0.0071031175   0.46
## 2004      NumMultBonds -0.0646492376   0.46
## 2005       NumRotBonds -0.0118190474   0.46
## 2006         NumCarbon -0.1200727172   0.46
## 2007         NumOxygen  0.1361853059   0.46
## 2008         NumSulfer -0.0900109434   0.46
## 2009       NumChlorine -0.2797318141   0.46
## 2010 HydrophilicFactor  0.0696293441   0.46
## 2011      SurfaceArea1  0.0053537512   0.46
## 2012       (Intercept) -0.3867786288   0.45
## 2013             FP011  0.1041491854   0.45
## 2014             FP039 -0.2038968875   0.45
## 2015             FP040  0.3254007084   0.45
## 2016             FP043  0.1685895852   0.45
## 2017             FP044 -0.5488024859   0.45
## 2018             FP050 -0.0038921250   0.45
## 2019             FP059 -0.5782751618   0.45
## 2020             FP063  0.2850948829   0.45
## 2021             FP072  0.4584343590   0.45
## 2022             FP073  0.0367867962   0.45
## 2023             FP074  0.1163292998   0.45
## 2024             FP084  0.0747062300   0.45
## 2025             FP094 -0.0567192259   0.45
## 2026             FP101  0.0396227725   0.45
## 2027             FP111 -0.1283600608   0.45
## 2028             FP124  0.0054472012   0.45
## 2029             FP135  0.2493512120   0.45
## 2030             FP142  0.3342292410   0.45
## 2031             FP147  0.0736102979   0.45
## 2032             FP172 -0.0404058364   0.45
## 2033             FP193 -0.0017617755   0.45
## 2034             FP204 -0.2214420681   0.45
## 2035             FP206 -0.2355032816   0.45
## 2036         MolWeight -0.0071031175   0.45
## 2037      NumMultBonds -0.0646492376   0.45
## 2038       NumRotBonds -0.0118190474   0.45
## 2039         NumCarbon -0.1200727172   0.45
## 2040         NumOxygen  0.1361853059   0.45
## 2041         NumSulfer -0.0900109434   0.45
## 2042       NumChlorine -0.2797318141   0.45
## 2043 HydrophilicFactor  0.0696293441   0.45
## 2044      SurfaceArea1  0.0053537512   0.45
## 2045       (Intercept) -0.3867786288   0.44
## 2046             FP011  0.1041491854   0.44
## 2047             FP039 -0.2038968875   0.44
## 2048             FP040  0.3254007084   0.44
## 2049             FP043  0.1685895852   0.44
## 2050             FP044 -0.5488024859   0.44
## 2051             FP050 -0.0038921250   0.44
## 2052             FP059 -0.5782751618   0.44
## 2053             FP063  0.2850948829   0.44
## 2054             FP072  0.4584343590   0.44
## 2055             FP073  0.0367867962   0.44
## 2056             FP074  0.1163292998   0.44
## 2057             FP084  0.0747062300   0.44
## 2058             FP094 -0.0567192259   0.44
## 2059             FP101  0.0396227725   0.44
## 2060             FP111 -0.1283600608   0.44
## 2061             FP124  0.0054472012   0.44
## 2062             FP135  0.2493512120   0.44
## 2063             FP142  0.3342292410   0.44
## 2064             FP147  0.0736102979   0.44
## 2065             FP172 -0.0404058364   0.44
## 2066             FP193 -0.0017617755   0.44
## 2067             FP204 -0.2214420681   0.44
## 2068             FP206 -0.2355032816   0.44
## 2069         MolWeight -0.0071031175   0.44
## 2070      NumMultBonds -0.0646492376   0.44
## 2071       NumRotBonds -0.0118190474   0.44
## 2072         NumCarbon -0.1200727172   0.44
## 2073         NumOxygen  0.1361853059   0.44
## 2074         NumSulfer -0.0900109434   0.44
## 2075       NumChlorine -0.2797318141   0.44
## 2076 HydrophilicFactor  0.0696293441   0.44
## 2077      SurfaceArea1  0.0053537512   0.44
## 2078       (Intercept) -0.3867786288   0.43
## 2079             FP011  0.1041491854   0.43
## 2080             FP039 -0.2038968875   0.43
## 2081             FP040  0.3254007084   0.43
## 2082             FP043  0.1685895852   0.43
## 2083             FP044 -0.5488024859   0.43
## 2084             FP050 -0.0038921250   0.43
## 2085             FP059 -0.5782751618   0.43
## 2086             FP063  0.2850948829   0.43
## 2087             FP072  0.4584343590   0.43
## 2088             FP073  0.0367867962   0.43
## 2089             FP074  0.1163292998   0.43
## 2090             FP084  0.0747062300   0.43
## 2091             FP094 -0.0567192259   0.43
## 2092             FP101  0.0396227725   0.43
## 2093             FP111 -0.1283600608   0.43
## 2094             FP124  0.0054472012   0.43
## 2095             FP135  0.2493512120   0.43
## 2096             FP142  0.3342292410   0.43
## 2097             FP147  0.0736102979   0.43
## 2098             FP172 -0.0404058364   0.43
## 2099             FP193 -0.0017617755   0.43
## 2100             FP204 -0.2214420681   0.43
## 2101             FP206 -0.2355032816   0.43
## 2102         MolWeight -0.0071031175   0.43
## 2103      NumMultBonds -0.0646492376   0.43
## 2104       NumRotBonds -0.0118190474   0.43
## 2105         NumCarbon -0.1200727172   0.43
## 2106         NumOxygen  0.1361853059   0.43
## 2107         NumSulfer -0.0900109434   0.43
## 2108       NumChlorine -0.2797318141   0.43
## 2109 HydrophilicFactor  0.0696293441   0.43
## 2110      SurfaceArea1  0.0053537512   0.43
## 2111       (Intercept) -0.3867786288   0.42
## 2112             FP011  0.1041491854   0.42
## 2113             FP039 -0.2038968875   0.42
## 2114             FP040  0.3254007084   0.42
## 2115             FP043  0.1685895852   0.42
## 2116             FP044 -0.5488024859   0.42
## 2117             FP050 -0.0038921250   0.42
## 2118             FP059 -0.5782751618   0.42
## 2119             FP063  0.2850948829   0.42
## 2120             FP072  0.4584343590   0.42
## 2121             FP073  0.0367867962   0.42
## 2122             FP074  0.1163292998   0.42
## 2123             FP084  0.0747062300   0.42
## 2124             FP094 -0.0567192259   0.42
## 2125             FP101  0.0396227725   0.42
## 2126             FP111 -0.1283600608   0.42
## 2127             FP124  0.0054472012   0.42
## 2128             FP135  0.2493512120   0.42
## 2129             FP142  0.3342292410   0.42
## 2130             FP147  0.0736102979   0.42
## 2131             FP172 -0.0404058364   0.42
## 2132             FP193 -0.0017617755   0.42
## 2133             FP204 -0.2214420681   0.42
## 2134             FP206 -0.2355032816   0.42
## 2135         MolWeight -0.0071031175   0.42
## 2136      NumMultBonds -0.0646492376   0.42
## 2137       NumRotBonds -0.0118190474   0.42
## 2138         NumCarbon -0.1200727172   0.42
## 2139         NumOxygen  0.1361853059   0.42
## 2140         NumSulfer -0.0900109434   0.42
## 2141       NumChlorine -0.2797318141   0.42
## 2142 HydrophilicFactor  0.0696293441   0.42
## 2143      SurfaceArea1  0.0053537512   0.42
## 2144       (Intercept) -0.3867786288   0.41
## 2145             FP011  0.1041491854   0.41
## 2146             FP039 -0.2038968875   0.41
## 2147             FP040  0.3254007084   0.41
## 2148             FP043  0.1685895852   0.41
## 2149             FP044 -0.5488024859   0.41
## 2150             FP050 -0.0038921250   0.41
## 2151             FP059 -0.5782751618   0.41
## 2152             FP063  0.2850948829   0.41
## 2153             FP072  0.4584343590   0.41
## 2154             FP073  0.0367867962   0.41
## 2155             FP074  0.1163292998   0.41
## 2156             FP084  0.0747062300   0.41
## 2157             FP094 -0.0567192259   0.41
## 2158             FP101  0.0396227725   0.41
## 2159             FP111 -0.1283600608   0.41
## 2160             FP124  0.0054472012   0.41
## 2161             FP135  0.2493512120   0.41
## 2162             FP142  0.3342292410   0.41
## 2163             FP147  0.0736102979   0.41
## 2164             FP172 -0.0404058364   0.41
## 2165             FP193 -0.0017617755   0.41
## 2166             FP204 -0.2214420681   0.41
## 2167             FP206 -0.2355032816   0.41
## 2168         MolWeight -0.0071031175   0.41
## 2169      NumMultBonds -0.0646492376   0.41
## 2170       NumRotBonds -0.0118190474   0.41
## 2171         NumCarbon -0.1200727172   0.41
## 2172         NumOxygen  0.1361853059   0.41
## 2173         NumSulfer -0.0900109434   0.41
## 2174       NumChlorine -0.2797318141   0.41
## 2175 HydrophilicFactor  0.0696293441   0.41
## 2176      SurfaceArea1  0.0053537512   0.41
## 2177       (Intercept) -0.3867786288   0.40
## 2178             FP011  0.1041491854   0.40
## 2179             FP039 -0.2038968875   0.40
## 2180             FP040  0.3254007084   0.40
## 2181             FP043  0.1685895852   0.40
## 2182             FP044 -0.5488024859   0.40
## 2183             FP050 -0.0038921250   0.40
## 2184             FP059 -0.5782751618   0.40
## 2185             FP063  0.2850948829   0.40
## 2186             FP072  0.4584343590   0.40
## 2187             FP073  0.0367867962   0.40
## 2188             FP074  0.1163292998   0.40
## 2189             FP084  0.0747062300   0.40
## 2190             FP094 -0.0567192259   0.40
## 2191             FP101  0.0396227725   0.40
## 2192             FP111 -0.1283600608   0.40
## 2193             FP124  0.0054472012   0.40
## 2194             FP135  0.2493512120   0.40
## 2195             FP142  0.3342292410   0.40
## 2196             FP147  0.0736102979   0.40
## 2197             FP172 -0.0404058364   0.40
## 2198             FP193 -0.0017617755   0.40
## 2199             FP204 -0.2214420681   0.40
## 2200             FP206 -0.2355032816   0.40
## 2201         MolWeight -0.0071031175   0.40
## 2202      NumMultBonds -0.0646492376   0.40
## 2203       NumRotBonds -0.0118190474   0.40
## 2204         NumCarbon -0.1200727172   0.40
## 2205         NumOxygen  0.1361853059   0.40
## 2206         NumSulfer -0.0900109434   0.40
## 2207       NumChlorine -0.2797318141   0.40
## 2208 HydrophilicFactor  0.0696293441   0.40
## 2209      SurfaceArea1  0.0053537512   0.40
## 2210       (Intercept) -0.3867786288   0.39
## 2211             FP011  0.1041491854   0.39
## 2212             FP039 -0.2038968875   0.39
## 2213             FP040  0.3254007084   0.39
## 2214             FP043  0.1685895852   0.39
## 2215             FP044 -0.5488024859   0.39
## 2216             FP050 -0.0038921250   0.39
## 2217             FP059 -0.5782751618   0.39
## 2218             FP063  0.2850948829   0.39
## 2219             FP072  0.4584343590   0.39
## 2220             FP073  0.0367867962   0.39
## 2221             FP074  0.1163292998   0.39
## 2222             FP084  0.0747062300   0.39
## 2223             FP094 -0.0567192259   0.39
## 2224             FP101  0.0396227725   0.39
## 2225             FP111 -0.1283600608   0.39
## 2226             FP124  0.0054472012   0.39
## 2227             FP135  0.2493512120   0.39
## 2228             FP142  0.3342292410   0.39
## 2229             FP147  0.0736102979   0.39
## 2230             FP172 -0.0404058364   0.39
## 2231             FP193 -0.0017617755   0.39
## 2232             FP204 -0.2214420681   0.39
## 2233             FP206 -0.2355032816   0.39
## 2234         MolWeight -0.0071031175   0.39
## 2235      NumMultBonds -0.0646492376   0.39
## 2236       NumRotBonds -0.0118190474   0.39
## 2237         NumCarbon -0.1200727172   0.39
## 2238         NumOxygen  0.1361853059   0.39
## 2239         NumSulfer -0.0900109434   0.39
## 2240       NumChlorine -0.2797318141   0.39
## 2241 HydrophilicFactor  0.0696293441   0.39
## 2242      SurfaceArea1  0.0053537512   0.39
## 2243       (Intercept) -0.3867786288   0.38
## 2244             FP011  0.1041491854   0.38
## 2245             FP039 -0.2038968875   0.38
## 2246             FP040  0.3254007084   0.38
## 2247             FP043  0.1685895852   0.38
## 2248             FP044 -0.5488024859   0.38
## 2249             FP050 -0.0038921250   0.38
## 2250             FP059 -0.5782751618   0.38
## 2251             FP063  0.2850948829   0.38
## 2252             FP072  0.4584343590   0.38
## 2253             FP073  0.0367867962   0.38
## 2254             FP074  0.1163292998   0.38
## 2255             FP084  0.0747062300   0.38
## 2256             FP094 -0.0567192259   0.38
## 2257             FP101  0.0396227725   0.38
## 2258             FP111 -0.1283600608   0.38
## 2259             FP124  0.0054472012   0.38
## 2260             FP135  0.2493512120   0.38
## 2261             FP142  0.3342292410   0.38
## 2262             FP147  0.0736102979   0.38
## 2263             FP172 -0.0404058364   0.38
## 2264             FP193 -0.0017617755   0.38
## 2265             FP204 -0.2214420681   0.38
## 2266             FP206 -0.2355032816   0.38
## 2267         MolWeight -0.0071031175   0.38
## 2268      NumMultBonds -0.0646492376   0.38
## 2269       NumRotBonds -0.0118190474   0.38
## 2270         NumCarbon -0.1200727172   0.38
## 2271         NumOxygen  0.1361853059   0.38
## 2272         NumSulfer -0.0900109434   0.38
## 2273       NumChlorine -0.2797318141   0.38
## 2274 HydrophilicFactor  0.0696293441   0.38
## 2275      SurfaceArea1  0.0053537512   0.38
## 2276       (Intercept) -0.3867786288   0.37
## 2277             FP011  0.1041491854   0.37
## 2278             FP039 -0.2038968875   0.37
## 2279             FP040  0.3254007084   0.37
## 2280             FP043  0.1685895852   0.37
## 2281             FP044 -0.5488024859   0.37
## 2282             FP050 -0.0038921250   0.37
## 2283             FP059 -0.5782751618   0.37
## 2284             FP063  0.2850948829   0.37
## 2285             FP072  0.4584343590   0.37
## 2286             FP073  0.0367867962   0.37
## 2287             FP074  0.1163292998   0.37
## 2288             FP084  0.0747062300   0.37
## 2289             FP094 -0.0567192259   0.37
## 2290             FP101  0.0396227725   0.37
## 2291             FP111 -0.1283600608   0.37
## 2292             FP124  0.0054472012   0.37
## 2293             FP135  0.2493512120   0.37
## 2294             FP142  0.3342292410   0.37
## 2295             FP147  0.0736102979   0.37
## 2296             FP172 -0.0404058364   0.37
## 2297             FP193 -0.0017617755   0.37
## 2298             FP204 -0.2214420681   0.37
## 2299             FP206 -0.2355032816   0.37
## 2300         MolWeight -0.0071031175   0.37
## 2301      NumMultBonds -0.0646492376   0.37
## 2302       NumRotBonds -0.0118190474   0.37
## 2303         NumCarbon -0.1200727172   0.37
## 2304         NumOxygen  0.1361853059   0.37
## 2305         NumSulfer -0.0900109434   0.37
## 2306       NumChlorine -0.2797318141   0.37
## 2307 HydrophilicFactor  0.0696293441   0.37
## 2308      SurfaceArea1  0.0053537512   0.37
## 2309       (Intercept) -0.3867786288   0.36
## 2310             FP011  0.1041491854   0.36
## 2311             FP039 -0.2038968875   0.36
## 2312             FP040  0.3254007084   0.36
## 2313             FP043  0.1685895852   0.36
## 2314             FP044 -0.5488024859   0.36
## 2315             FP050 -0.0038921250   0.36
## 2316             FP059 -0.5782751618   0.36
## 2317             FP063  0.2850948829   0.36
## 2318             FP072  0.4584343590   0.36
## 2319             FP073  0.0367867962   0.36
## 2320             FP074  0.1163292998   0.36
## 2321             FP084  0.0747062300   0.36
## 2322             FP094 -0.0567192259   0.36
## 2323             FP101  0.0396227725   0.36
## 2324             FP111 -0.1283600608   0.36
## 2325             FP124  0.0054472012   0.36
## 2326             FP135  0.2493512120   0.36
## 2327             FP142  0.3342292410   0.36
## 2328             FP147  0.0736102979   0.36
## 2329             FP172 -0.0404058364   0.36
## 2330             FP193 -0.0017617755   0.36
## 2331             FP204 -0.2214420681   0.36
## 2332             FP206 -0.2355032816   0.36
## 2333         MolWeight -0.0071031175   0.36
## 2334      NumMultBonds -0.0646492376   0.36
## 2335       NumRotBonds -0.0118190474   0.36
## 2336         NumCarbon -0.1200727172   0.36
## 2337         NumOxygen  0.1361853059   0.36
## 2338         NumSulfer -0.0900109434   0.36
## 2339       NumChlorine -0.2797318141   0.36
## 2340 HydrophilicFactor  0.0696293441   0.36
## 2341      SurfaceArea1  0.0053537512   0.36
## 2342       (Intercept) -0.3867786288   0.35
## 2343             FP011  0.1041491854   0.35
## 2344             FP039 -0.2038968875   0.35
## 2345             FP040  0.3254007084   0.35
## 2346             FP043  0.1685895852   0.35
## 2347             FP044 -0.5488024859   0.35
## 2348             FP050 -0.0038921250   0.35
## 2349             FP059 -0.5782751618   0.35
## 2350             FP063  0.2850948829   0.35
## 2351             FP072  0.4584343590   0.35
## 2352             FP073  0.0367867962   0.35
## 2353             FP074  0.1163292998   0.35
## 2354             FP084  0.0747062300   0.35
## 2355             FP094 -0.0567192259   0.35
## 2356             FP101  0.0396227725   0.35
## 2357             FP111 -0.1283600608   0.35
## 2358             FP124  0.0054472012   0.35
## 2359             FP135  0.2493512120   0.35
## 2360             FP142  0.3342292410   0.35
## 2361             FP147  0.0736102979   0.35
## 2362             FP172 -0.0404058364   0.35
## 2363             FP193 -0.0017617755   0.35
## 2364             FP204 -0.2214420681   0.35
## 2365             FP206 -0.2355032816   0.35
## 2366         MolWeight -0.0071031175   0.35
## 2367      NumMultBonds -0.0646492376   0.35
## 2368       NumRotBonds -0.0118190474   0.35
## 2369         NumCarbon -0.1200727172   0.35
## 2370         NumOxygen  0.1361853059   0.35
## 2371         NumSulfer -0.0900109434   0.35
## 2372       NumChlorine -0.2797318141   0.35
## 2373 HydrophilicFactor  0.0696293441   0.35
## 2374      SurfaceArea1  0.0053537512   0.35
## 2375       (Intercept) -0.3867786288   0.34
## 2376             FP011  0.1041491854   0.34
## 2377             FP039 -0.2038968875   0.34
## 2378             FP040  0.3254007084   0.34
## 2379             FP043  0.1685895852   0.34
## 2380             FP044 -0.5488024859   0.34
## 2381             FP050 -0.0038921250   0.34
## 2382             FP059 -0.5782751618   0.34
## 2383             FP063  0.2850948829   0.34
## 2384             FP072  0.4584343590   0.34
## 2385             FP073  0.0367867962   0.34
## 2386             FP074  0.1163292998   0.34
## 2387             FP084  0.0747062300   0.34
## 2388             FP094 -0.0567192259   0.34
## 2389             FP101  0.0396227725   0.34
## 2390             FP111 -0.1283600608   0.34
## 2391             FP124  0.0054472012   0.34
## 2392             FP135  0.2493512120   0.34
## 2393             FP142  0.3342292410   0.34
## 2394             FP147  0.0736102979   0.34
## 2395             FP172 -0.0404058364   0.34
## 2396             FP193 -0.0017617755   0.34
## 2397             FP204 -0.2214420681   0.34
## 2398             FP206 -0.2355032816   0.34
## 2399         MolWeight -0.0071031175   0.34
## 2400      NumMultBonds -0.0646492376   0.34
## 2401       NumRotBonds -0.0118190474   0.34
## 2402         NumCarbon -0.1200727172   0.34
## 2403         NumOxygen  0.1361853059   0.34
## 2404         NumSulfer -0.0900109434   0.34
## 2405       NumChlorine -0.2797318141   0.34
## 2406 HydrophilicFactor  0.0696293441   0.34
## 2407      SurfaceArea1  0.0053537512   0.34
## 2408       (Intercept) -0.3867786288   0.33
## 2409             FP011  0.1041491854   0.33
## 2410             FP039 -0.2038968875   0.33
## 2411             FP040  0.3254007084   0.33
## 2412             FP043  0.1685895852   0.33
## 2413             FP044 -0.5488024859   0.33
## 2414             FP050 -0.0038921250   0.33
## 2415             FP059 -0.5782751618   0.33
## 2416             FP063  0.2850948829   0.33
## 2417             FP072  0.4584343590   0.33
## 2418             FP073  0.0367867962   0.33
## 2419             FP074  0.1163292998   0.33
## 2420             FP084  0.0747062300   0.33
## 2421             FP094 -0.0567192259   0.33
## 2422             FP101  0.0396227725   0.33
## 2423             FP111 -0.1283600608   0.33
## 2424             FP124  0.0054472012   0.33
## 2425             FP135  0.2493512120   0.33
## 2426             FP142  0.3342292410   0.33
## 2427             FP147  0.0736102979   0.33
## 2428             FP172 -0.0404058364   0.33
## 2429             FP193 -0.0017617755   0.33
## 2430             FP204 -0.2214420681   0.33
## 2431             FP206 -0.2355032816   0.33
## 2432         MolWeight -0.0071031175   0.33
## 2433      NumMultBonds -0.0646492376   0.33
## 2434       NumRotBonds -0.0118190474   0.33
## 2435         NumCarbon -0.1200727172   0.33
## 2436         NumOxygen  0.1361853059   0.33
## 2437         NumSulfer -0.0900109434   0.33
## 2438       NumChlorine -0.2797318141   0.33
## 2439 HydrophilicFactor  0.0696293441   0.33
## 2440      SurfaceArea1  0.0053537512   0.33
## 2441       (Intercept) -0.3867786288   0.32
## 2442             FP011  0.1041491854   0.32
## 2443             FP039 -0.2038968875   0.32
## 2444             FP040  0.3254007084   0.32
## 2445             FP043  0.1685895852   0.32
## 2446             FP044 -0.5488024859   0.32
## 2447             FP050 -0.0038921250   0.32
## 2448             FP059 -0.5782751618   0.32
## 2449             FP063  0.2850948829   0.32
## 2450             FP072  0.4584343590   0.32
## 2451             FP073  0.0367867962   0.32
## 2452             FP074  0.1163292998   0.32
## 2453             FP084  0.0747062300   0.32
## 2454             FP094 -0.0567192259   0.32
## 2455             FP101  0.0396227725   0.32
## 2456             FP111 -0.1283600608   0.32
## 2457             FP124  0.0054472012   0.32
## 2458             FP135  0.2493512120   0.32
## 2459             FP142  0.3342292410   0.32
## 2460             FP147  0.0736102979   0.32
## 2461             FP172 -0.0404058364   0.32
## 2462             FP193 -0.0017617755   0.32
## 2463             FP204 -0.2214420681   0.32
## 2464             FP206 -0.2355032816   0.32
## 2465         MolWeight -0.0071031175   0.32
## 2466      NumMultBonds -0.0646492376   0.32
## 2467       NumRotBonds -0.0118190474   0.32
## 2468         NumCarbon -0.1200727172   0.32
## 2469         NumOxygen  0.1361853059   0.32
## 2470         NumSulfer -0.0900109434   0.32
## 2471       NumChlorine -0.2797318141   0.32
## 2472 HydrophilicFactor  0.0696293441   0.32
## 2473      SurfaceArea1  0.0053537512   0.32
## 2474       (Intercept) -0.3867786288   0.31
## 2475             FP011  0.1041491854   0.31
## 2476             FP039 -0.2038968875   0.31
## 2477             FP040  0.3254007084   0.31
## 2478             FP043  0.1685895852   0.31
## 2479             FP044 -0.5488024859   0.31
## 2480             FP050 -0.0038921250   0.31
## 2481             FP059 -0.5782751618   0.31
## 2482             FP063  0.2850948829   0.31
## 2483             FP072  0.4584343590   0.31
## 2484             FP073  0.0367867962   0.31
## 2485             FP074  0.1163292998   0.31
## 2486             FP084  0.0747062300   0.31
## 2487             FP094 -0.0567192259   0.31
## 2488             FP101  0.0396227725   0.31
## 2489             FP111 -0.1283600608   0.31
## 2490             FP124  0.0054472012   0.31
## 2491             FP135  0.2493512120   0.31
## 2492             FP142  0.3342292410   0.31
## 2493             FP147  0.0736102979   0.31
## 2494             FP172 -0.0404058364   0.31
## 2495             FP193 -0.0017617755   0.31
## 2496             FP204 -0.2214420681   0.31
## 2497             FP206 -0.2355032816   0.31
## 2498         MolWeight -0.0071031175   0.31
## 2499      NumMultBonds -0.0646492376   0.31
## 2500       NumRotBonds -0.0118190474   0.31
## 2501         NumCarbon -0.1200727172   0.31
## 2502         NumOxygen  0.1361853059   0.31
## 2503         NumSulfer -0.0900109434   0.31
## 2504       NumChlorine -0.2797318141   0.31
## 2505 HydrophilicFactor  0.0696293441   0.31
## 2506      SurfaceArea1  0.0053537512   0.31
## 2507       (Intercept) -0.3867786288   0.30
## 2508             FP011  0.1041491854   0.30
## 2509             FP039 -0.2038968875   0.30
## 2510             FP040  0.3254007084   0.30
## 2511             FP043  0.1685895852   0.30
## 2512             FP044 -0.5488024859   0.30
## 2513             FP050 -0.0038921250   0.30
## 2514             FP059 -0.5782751618   0.30
## 2515             FP063  0.2850948829   0.30
## 2516             FP072  0.4584343590   0.30
## 2517             FP073  0.0367867962   0.30
## 2518             FP074  0.1163292998   0.30
## 2519             FP084  0.0747062300   0.30
## 2520             FP094 -0.0567192259   0.30
## 2521             FP101  0.0396227725   0.30
## 2522             FP111 -0.1283600608   0.30
## 2523             FP124  0.0054472012   0.30
## 2524             FP135  0.2493512120   0.30
## 2525             FP142  0.3342292410   0.30
## 2526             FP147  0.0736102979   0.30
## 2527             FP172 -0.0404058364   0.30
## 2528             FP193 -0.0017617755   0.30
## 2529             FP204 -0.2214420681   0.30
## 2530             FP206 -0.2355032816   0.30
## 2531         MolWeight -0.0071031175   0.30
## 2532      NumMultBonds -0.0646492376   0.30
## 2533       NumRotBonds -0.0118190474   0.30
## 2534         NumCarbon -0.1200727172   0.30
## 2535         NumOxygen  0.1361853059   0.30
## 2536         NumSulfer -0.0900109434   0.30
## 2537       NumChlorine -0.2797318141   0.30
## 2538 HydrophilicFactor  0.0696293441   0.30
## 2539      SurfaceArea1  0.0053537512   0.30
## 2540       (Intercept) -0.3867786288   0.29
## 2541             FP011  0.1041491854   0.29
## 2542             FP039 -0.2038968875   0.29
## 2543             FP040  0.3254007084   0.29
## 2544             FP043  0.1685895852   0.29
## 2545             FP044 -0.5488024859   0.29
## 2546             FP050 -0.0038921250   0.29
## 2547             FP059 -0.5782751618   0.29
## 2548             FP063  0.2850948829   0.29
## 2549             FP072  0.4584343590   0.29
## 2550             FP073  0.0367867962   0.29
## 2551             FP074  0.1163292998   0.29
## 2552             FP084  0.0747062300   0.29
## 2553             FP094 -0.0567192259   0.29
## 2554             FP101  0.0396227725   0.29
## 2555             FP111 -0.1283600608   0.29
## 2556             FP124  0.0054472012   0.29
## 2557             FP135  0.2493512120   0.29
## 2558             FP142  0.3342292410   0.29
## 2559             FP147  0.0736102979   0.29
## 2560             FP172 -0.0404058364   0.29
## 2561             FP193 -0.0017617755   0.29
## 2562             FP204 -0.2214420681   0.29
## 2563             FP206 -0.2355032816   0.29
## 2564         MolWeight -0.0071031175   0.29
## 2565      NumMultBonds -0.0646492376   0.29
## 2566       NumRotBonds -0.0118190474   0.29
## 2567         NumCarbon -0.1200727172   0.29
## 2568         NumOxygen  0.1361853059   0.29
## 2569         NumSulfer -0.0900109434   0.29
## 2570       NumChlorine -0.2797318141   0.29
## 2571 HydrophilicFactor  0.0696293441   0.29
## 2572      SurfaceArea1  0.0053537512   0.29
## 2573       (Intercept) -0.3867786288   0.28
## 2574             FP011  0.1041491854   0.28
## 2575             FP039 -0.2038968875   0.28
## 2576             FP040  0.3254007084   0.28
## 2577             FP043  0.1685895852   0.28
## 2578             FP044 -0.5488024859   0.28
## 2579             FP050 -0.0038921250   0.28
## 2580             FP059 -0.5782751618   0.28
## 2581             FP063  0.2850948829   0.28
## 2582             FP072  0.4584343590   0.28
## 2583             FP073  0.0367867962   0.28
## 2584             FP074  0.1163292998   0.28
## 2585             FP084  0.0747062300   0.28
## 2586             FP094 -0.0567192259   0.28
## 2587             FP101  0.0396227725   0.28
## 2588             FP111 -0.1283600608   0.28
## 2589             FP124  0.0054472012   0.28
## 2590             FP135  0.2493512120   0.28
## 2591             FP142  0.3342292410   0.28
## 2592             FP147  0.0736102979   0.28
## 2593             FP172 -0.0404058364   0.28
## 2594             FP193 -0.0017617755   0.28
## 2595             FP204 -0.2214420681   0.28
## 2596             FP206 -0.2355032816   0.28
## 2597         MolWeight -0.0071031175   0.28
## 2598      NumMultBonds -0.0646492376   0.28
## 2599       NumRotBonds -0.0118190474   0.28
## 2600         NumCarbon -0.1200727172   0.28
## 2601         NumOxygen  0.1361853059   0.28
## 2602         NumSulfer -0.0900109434   0.28
## 2603       NumChlorine -0.2797318141   0.28
## 2604 HydrophilicFactor  0.0696293441   0.28
## 2605      SurfaceArea1  0.0053537512   0.28
## 2606       (Intercept) -0.3867786288   0.27
## 2607             FP011  0.1041491854   0.27
## 2608             FP039 -0.2038968875   0.27
## 2609             FP040  0.3254007084   0.27
## 2610             FP043  0.1685895852   0.27
## 2611             FP044 -0.5488024859   0.27
## 2612             FP050 -0.0038921250   0.27
## 2613             FP059 -0.5782751618   0.27
## 2614             FP063  0.2850948829   0.27
## 2615             FP072  0.4584343590   0.27
## 2616             FP073  0.0367867962   0.27
## 2617             FP074  0.1163292998   0.27
## 2618             FP084  0.0747062300   0.27
## 2619             FP094 -0.0567192259   0.27
## 2620             FP101  0.0396227725   0.27
## 2621             FP111 -0.1283600608   0.27
## 2622             FP124  0.0054472012   0.27
## 2623             FP135  0.2493512120   0.27
## 2624             FP142  0.3342292410   0.27
## 2625             FP147  0.0736102979   0.27
## 2626             FP172 -0.0404058364   0.27
## 2627             FP193 -0.0017617755   0.27
## 2628             FP204 -0.2214420681   0.27
## 2629             FP206 -0.2355032816   0.27
## 2630         MolWeight -0.0071031175   0.27
## 2631      NumMultBonds -0.0646492376   0.27
## 2632       NumRotBonds -0.0118190474   0.27
## 2633         NumCarbon -0.1200727172   0.27
## 2634         NumOxygen  0.1361853059   0.27
## 2635         NumSulfer -0.0900109434   0.27
## 2636       NumChlorine -0.2797318141   0.27
## 2637 HydrophilicFactor  0.0696293441   0.27
## 2638      SurfaceArea1  0.0053537512   0.27
## 2639       (Intercept) -0.3867786288   0.26
## 2640             FP011  0.1041491854   0.26
## 2641             FP039 -0.2038968875   0.26
## 2642             FP040  0.3254007084   0.26
## 2643             FP043  0.1685895852   0.26
## 2644             FP044 -0.5488024859   0.26
## 2645             FP050 -0.0038921250   0.26
## 2646             FP059 -0.5782751618   0.26
## 2647             FP063  0.2850948829   0.26
## 2648             FP072  0.4584343590   0.26
## 2649             FP073  0.0367867962   0.26
## 2650             FP074  0.1163292998   0.26
## 2651             FP084  0.0747062300   0.26
## 2652             FP094 -0.0567192259   0.26
## 2653             FP101  0.0396227725   0.26
## 2654             FP111 -0.1283600608   0.26
## 2655             FP124  0.0054472012   0.26
## 2656             FP135  0.2493512120   0.26
## 2657             FP142  0.3342292410   0.26
## 2658             FP147  0.0736102979   0.26
## 2659             FP172 -0.0404058364   0.26
## 2660             FP193 -0.0017617755   0.26
## 2661             FP204 -0.2214420681   0.26
## 2662             FP206 -0.2355032816   0.26
## 2663         MolWeight -0.0071031175   0.26
## 2664      NumMultBonds -0.0646492376   0.26
## 2665       NumRotBonds -0.0118190474   0.26
## 2666         NumCarbon -0.1200727172   0.26
## 2667         NumOxygen  0.1361853059   0.26
## 2668         NumSulfer -0.0900109434   0.26
## 2669       NumChlorine -0.2797318141   0.26
## 2670 HydrophilicFactor  0.0696293441   0.26
## 2671      SurfaceArea1  0.0053537512   0.26
## 2672       (Intercept) -0.3867786288   0.25
## 2673             FP011  0.1041491854   0.25
## 2674             FP039 -0.2038968875   0.25
## 2675             FP040  0.3254007084   0.25
## 2676             FP043  0.1685895852   0.25
## 2677             FP044 -0.5488024859   0.25
## 2678             FP050 -0.0038921250   0.25
## 2679             FP059 -0.5782751618   0.25
## 2680             FP063  0.2850948829   0.25
## 2681             FP072  0.4584343590   0.25
## 2682             FP073  0.0367867962   0.25
## 2683             FP074  0.1163292998   0.25
## 2684             FP084  0.0747062300   0.25
## 2685             FP094 -0.0567192259   0.25
## 2686             FP101  0.0396227725   0.25
## 2687             FP111 -0.1283600608   0.25
## 2688             FP124  0.0054472012   0.25
## 2689             FP135  0.2493512120   0.25
## 2690             FP142  0.3342292410   0.25
## 2691             FP147  0.0736102979   0.25
## 2692             FP172 -0.0404058364   0.25
## 2693             FP193 -0.0017617755   0.25
## 2694             FP204 -0.2214420681   0.25
## 2695             FP206 -0.2355032816   0.25
## 2696         MolWeight -0.0071031175   0.25
## 2697      NumMultBonds -0.0646492376   0.25
## 2698       NumRotBonds -0.0118190474   0.25
## 2699         NumCarbon -0.1200727172   0.25
## 2700         NumOxygen  0.1361853059   0.25
## 2701         NumSulfer -0.0900109434   0.25
## 2702       NumChlorine -0.2797318141   0.25
## 2703 HydrophilicFactor  0.0696293441   0.25
## 2704      SurfaceArea1  0.0053537512   0.25
## 2705       (Intercept) -0.3867786288   0.24
## 2706             FP011  0.1041491854   0.24
## 2707             FP039 -0.2038968875   0.24
## 2708             FP040  0.3254007084   0.24
## 2709             FP043  0.1685895852   0.24
## 2710             FP044 -0.5488024859   0.24
## 2711             FP050 -0.0038921250   0.24
## 2712             FP059 -0.5782751618   0.24
## 2713             FP063  0.2850948829   0.24
## 2714             FP072  0.4584343590   0.24
## 2715             FP073  0.0367867962   0.24
## 2716             FP074  0.1163292998   0.24
## 2717             FP084  0.0747062300   0.24
## 2718             FP094 -0.0567192259   0.24
## 2719             FP101  0.0396227725   0.24
## 2720             FP111 -0.1283600608   0.24
## 2721             FP124  0.0054472012   0.24
## 2722             FP135  0.2493512120   0.24
## 2723             FP142  0.3342292410   0.24
## 2724             FP147  0.0736102979   0.24
## 2725             FP172 -0.0404058364   0.24
## 2726             FP193 -0.0017617755   0.24
## 2727             FP204 -0.2214420681   0.24
## 2728             FP206 -0.2355032816   0.24
## 2729         MolWeight -0.0071031175   0.24
## 2730      NumMultBonds -0.0646492376   0.24
## 2731       NumRotBonds -0.0118190474   0.24
## 2732         NumCarbon -0.1200727172   0.24
## 2733         NumOxygen  0.1361853059   0.24
## 2734         NumSulfer -0.0900109434   0.24
## 2735       NumChlorine -0.2797318141   0.24
## 2736 HydrophilicFactor  0.0696293441   0.24
## 2737      SurfaceArea1  0.0053537512   0.24
## 2738       (Intercept) -0.3867786288   0.23
## 2739             FP011  0.1041491854   0.23
## 2740             FP039 -0.2038968875   0.23
## 2741             FP040  0.3254007084   0.23
## 2742             FP043  0.1685895852   0.23
## 2743             FP044 -0.5488024859   0.23
## 2744             FP050 -0.0038921250   0.23
## 2745             FP059 -0.5782751618   0.23
## 2746             FP063  0.2850948829   0.23
## 2747             FP072  0.4584343590   0.23
## 2748             FP073  0.0367867962   0.23
## 2749             FP074  0.1163292998   0.23
## 2750             FP084  0.0747062300   0.23
## 2751             FP094 -0.0567192259   0.23
## 2752             FP101  0.0396227725   0.23
## 2753             FP111 -0.1283600608   0.23
## 2754             FP124  0.0054472012   0.23
## 2755             FP135  0.2493512120   0.23
## 2756             FP142  0.3342292410   0.23
## 2757             FP147  0.0736102979   0.23
## 2758             FP172 -0.0404058364   0.23
## 2759             FP193 -0.0017617755   0.23
## 2760             FP204 -0.2214420681   0.23
## 2761             FP206 -0.2355032816   0.23
## 2762         MolWeight -0.0071031175   0.23
## 2763      NumMultBonds -0.0646492376   0.23
## 2764       NumRotBonds -0.0118190474   0.23
## 2765         NumCarbon -0.1200727172   0.23
## 2766         NumOxygen  0.1361853059   0.23
## 2767         NumSulfer -0.0900109434   0.23
## 2768       NumChlorine -0.2797318141   0.23
## 2769 HydrophilicFactor  0.0696293441   0.23
## 2770      SurfaceArea1  0.0053537512   0.23
## 2771       (Intercept) -0.3867786288   0.22
## 2772             FP011  0.1041491854   0.22
## 2773             FP039 -0.2038968875   0.22
## 2774             FP040  0.3254007084   0.22
## 2775             FP043  0.1685895852   0.22
## 2776             FP044 -0.5488024859   0.22
## 2777             FP050 -0.0038921250   0.22
## 2778             FP059 -0.5782751618   0.22
## 2779             FP063  0.2850948829   0.22
## 2780             FP072  0.4584343590   0.22
## 2781             FP073  0.0367867962   0.22
## 2782             FP074  0.1163292998   0.22
## 2783             FP084  0.0747062300   0.22
## 2784             FP094 -0.0567192259   0.22
## 2785             FP101  0.0396227725   0.22
## 2786             FP111 -0.1283600608   0.22
## 2787             FP124  0.0054472012   0.22
## 2788             FP135  0.2493512120   0.22
## 2789             FP142  0.3342292410   0.22
## 2790             FP147  0.0736102979   0.22
## 2791             FP172 -0.0404058364   0.22
## 2792             FP193 -0.0017617755   0.22
## 2793             FP204 -0.2214420681   0.22
## 2794             FP206 -0.2355032816   0.22
## 2795         MolWeight -0.0071031175   0.22
## 2796      NumMultBonds -0.0646492376   0.22
## 2797       NumRotBonds -0.0118190474   0.22
## 2798         NumCarbon -0.1200727172   0.22
## 2799         NumOxygen  0.1361853059   0.22
## 2800         NumSulfer -0.0900109434   0.22
## 2801       NumChlorine -0.2797318141   0.22
## 2802 HydrophilicFactor  0.0696293441   0.22
## 2803      SurfaceArea1  0.0053537512   0.22
## 2804       (Intercept) -0.3867786288   0.21
## 2805             FP011  0.1041491854   0.21
## 2806             FP039 -0.2038968875   0.21
## 2807             FP040  0.3254007084   0.21
## 2808             FP043  0.1685895852   0.21
## 2809             FP044 -0.5488024859   0.21
## 2810             FP050 -0.0038921250   0.21
## 2811             FP059 -0.5782751618   0.21
## 2812             FP063  0.2850948829   0.21
## 2813             FP072  0.4584343590   0.21
## 2814             FP073  0.0367867962   0.21
## 2815             FP074  0.1163292998   0.21
## 2816             FP084  0.0747062300   0.21
## 2817             FP094 -0.0567192259   0.21
## 2818             FP101  0.0396227725   0.21
## 2819             FP111 -0.1283600608   0.21
## 2820             FP124  0.0054472012   0.21
## 2821             FP135  0.2493512120   0.21
## 2822             FP142  0.3342292410   0.21
## 2823             FP147  0.0736102979   0.21
## 2824             FP172 -0.0404058364   0.21
## 2825             FP193 -0.0017617755   0.21
## 2826             FP204 -0.2214420681   0.21
## 2827             FP206 -0.2355032816   0.21
## 2828         MolWeight -0.0071031175   0.21
## 2829      NumMultBonds -0.0646492376   0.21
## 2830       NumRotBonds -0.0118190474   0.21
## 2831         NumCarbon -0.1200727172   0.21
## 2832         NumOxygen  0.1361853059   0.21
## 2833         NumSulfer -0.0900109434   0.21
## 2834       NumChlorine -0.2797318141   0.21
## 2835 HydrophilicFactor  0.0696293441   0.21
## 2836      SurfaceArea1  0.0053537512   0.21
## 2837       (Intercept) -0.3867786288   0.20
## 2838             FP011  0.1041491854   0.20
## 2839             FP039 -0.2038968875   0.20
## 2840             FP040  0.3254007084   0.20
## 2841             FP043  0.1685895852   0.20
## 2842             FP044 -0.5488024859   0.20
## 2843             FP050 -0.0038921250   0.20
## 2844             FP059 -0.5782751618   0.20
## 2845             FP063  0.2850948829   0.20
## 2846             FP072  0.4584343590   0.20
## 2847             FP073  0.0367867962   0.20
## 2848             FP074  0.1163292998   0.20
## 2849             FP084  0.0747062300   0.20
## 2850             FP094 -0.0567192259   0.20
## 2851             FP101  0.0396227725   0.20
## 2852             FP111 -0.1283600608   0.20
## 2853             FP124  0.0054472012   0.20
## 2854             FP135  0.2493512120   0.20
## 2855             FP142  0.3342292410   0.20
## 2856             FP147  0.0736102979   0.20
## 2857             FP172 -0.0404058364   0.20
## 2858             FP193 -0.0017617755   0.20
## 2859             FP204 -0.2214420681   0.20
## 2860             FP206 -0.2355032816   0.20
## 2861         MolWeight -0.0071031175   0.20
## 2862      NumMultBonds -0.0646492376   0.20
## 2863       NumRotBonds -0.0118190474   0.20
## 2864         NumCarbon -0.1200727172   0.20
## 2865         NumOxygen  0.1361853059   0.20
## 2866         NumSulfer -0.0900109434   0.20
## 2867       NumChlorine -0.2797318141   0.20
## 2868 HydrophilicFactor  0.0696293441   0.20
## 2869      SurfaceArea1  0.0053537512   0.20
## 2870       (Intercept) -0.3867786288   0.19
## 2871             FP011  0.1041491854   0.19
## 2872             FP039 -0.2038968875   0.19
## 2873             FP040  0.3254007084   0.19
## 2874             FP043  0.1685895852   0.19
## 2875             FP044 -0.5488024859   0.19
## 2876             FP050 -0.0038921250   0.19
## 2877             FP059 -0.5782751618   0.19
## 2878             FP063  0.2850948829   0.19
## 2879             FP072  0.4584343590   0.19
## 2880             FP073  0.0367867962   0.19
## 2881             FP074  0.1163292998   0.19
## 2882             FP084  0.0747062300   0.19
## 2883             FP094 -0.0567192259   0.19
## 2884             FP101  0.0396227725   0.19
## 2885             FP111 -0.1283600608   0.19
## 2886             FP124  0.0054472012   0.19
## 2887             FP135  0.2493512120   0.19
## 2888             FP142  0.3342292410   0.19
## 2889             FP147  0.0736102979   0.19
## 2890             FP172 -0.0404058364   0.19
## 2891             FP193 -0.0017617755   0.19
## 2892             FP204 -0.2214420681   0.19
## 2893             FP206 -0.2355032816   0.19
## 2894         MolWeight -0.0071031175   0.19
## 2895      NumMultBonds -0.0646492376   0.19
## 2896       NumRotBonds -0.0118190474   0.19
## 2897         NumCarbon -0.1200727172   0.19
## 2898         NumOxygen  0.1361853059   0.19
## 2899         NumSulfer -0.0900109434   0.19
## 2900       NumChlorine -0.2797318141   0.19
## 2901 HydrophilicFactor  0.0696293441   0.19
## 2902      SurfaceArea1  0.0053537512   0.19
## 2903       (Intercept) -0.3867786288   0.18
## 2904             FP011  0.1041491854   0.18
## 2905             FP039 -0.2038968875   0.18
## 2906             FP040  0.3254007084   0.18
## 2907             FP043  0.1685895852   0.18
## 2908             FP044 -0.5488024859   0.18
## 2909             FP050 -0.0038921250   0.18
## 2910             FP059 -0.5782751618   0.18
## 2911             FP063  0.2850948829   0.18
## 2912             FP072  0.4584343590   0.18
## 2913             FP073  0.0367867962   0.18
## 2914             FP074  0.1163292998   0.18
## 2915             FP084  0.0747062300   0.18
## 2916             FP094 -0.0567192259   0.18
## 2917             FP101  0.0396227725   0.18
## 2918             FP111 -0.1283600608   0.18
## 2919             FP124  0.0054472012   0.18
## 2920             FP135  0.2493512120   0.18
## 2921             FP142  0.3342292410   0.18
## 2922             FP147  0.0736102979   0.18
## 2923             FP172 -0.0404058364   0.18
## 2924             FP193 -0.0017617755   0.18
## 2925             FP204 -0.2214420681   0.18
## 2926             FP206 -0.2355032816   0.18
## 2927         MolWeight -0.0071031175   0.18
## 2928      NumMultBonds -0.0646492376   0.18
## 2929       NumRotBonds -0.0118190474   0.18
## 2930         NumCarbon -0.1200727172   0.18
## 2931         NumOxygen  0.1361853059   0.18
## 2932         NumSulfer -0.0900109434   0.18
## 2933       NumChlorine -0.2797318141   0.18
## 2934 HydrophilicFactor  0.0696293441   0.18
## 2935      SurfaceArea1  0.0053537512   0.18
## 2936       (Intercept) -0.3867786288   0.17
## 2937             FP011  0.1041491854   0.17
## 2938             FP039 -0.2038968875   0.17
## 2939             FP040  0.3254007084   0.17
## 2940             FP043  0.1685895852   0.17
## 2941             FP044 -0.5488024859   0.17
## 2942             FP050 -0.0038921250   0.17
## 2943             FP059 -0.5782751618   0.17
## 2944             FP063  0.2850948829   0.17
## 2945             FP072  0.4584343590   0.17
## 2946             FP073  0.0367867962   0.17
## 2947             FP074  0.1163292998   0.17
## 2948             FP084  0.0747062300   0.17
## 2949             FP094 -0.0567192259   0.17
## 2950             FP101  0.0396227725   0.17
## 2951             FP111 -0.1283600608   0.17
## 2952             FP124  0.0054472012   0.17
## 2953             FP135  0.2493512120   0.17
## 2954             FP142  0.3342292410   0.17
## 2955             FP147  0.0736102979   0.17
## 2956             FP172 -0.0404058364   0.17
## 2957             FP193 -0.0017617755   0.17
## 2958             FP204 -0.2214420681   0.17
## 2959             FP206 -0.2355032816   0.17
## 2960         MolWeight -0.0071031175   0.17
## 2961      NumMultBonds -0.0646492376   0.17
## 2962       NumRotBonds -0.0118190474   0.17
## 2963         NumCarbon -0.1200727172   0.17
## 2964         NumOxygen  0.1361853059   0.17
## 2965         NumSulfer -0.0900109434   0.17
## 2966       NumChlorine -0.2797318141   0.17
## 2967 HydrophilicFactor  0.0696293441   0.17
## 2968      SurfaceArea1  0.0053537512   0.17
## 2969       (Intercept) -0.3867786288   0.16
## 2970             FP011  0.1041491854   0.16
## 2971             FP039 -0.2038968875   0.16
## 2972             FP040  0.3254007084   0.16
## 2973             FP043  0.1685895852   0.16
## 2974             FP044 -0.5488024859   0.16
## 2975             FP050 -0.0038921250   0.16
## 2976             FP059 -0.5782751618   0.16
## 2977             FP063  0.2850948829   0.16
## 2978             FP072  0.4584343590   0.16
## 2979             FP073  0.0367867962   0.16
## 2980             FP074  0.1163292998   0.16
## 2981             FP084  0.0747062300   0.16
## 2982             FP094 -0.0567192259   0.16
## 2983             FP101  0.0396227725   0.16
## 2984             FP111 -0.1283600608   0.16
## 2985             FP124  0.0054472012   0.16
## 2986             FP135  0.2493512120   0.16
## 2987             FP142  0.3342292410   0.16
## 2988             FP147  0.0736102979   0.16
## 2989             FP172 -0.0404058364   0.16
## 2990             FP193 -0.0017617755   0.16
## 2991             FP204 -0.2214420681   0.16
## 2992             FP206 -0.2355032816   0.16
## 2993         MolWeight -0.0071031175   0.16
## 2994      NumMultBonds -0.0646492376   0.16
## 2995       NumRotBonds -0.0118190474   0.16
## 2996         NumCarbon -0.1200727172   0.16
## 2997         NumOxygen  0.1361853059   0.16
## 2998         NumSulfer -0.0900109434   0.16
## 2999       NumChlorine -0.2797318141   0.16
## 3000 HydrophilicFactor  0.0696293441   0.16
## 3001      SurfaceArea1  0.0053537512   0.16
## 3002       (Intercept) -0.3867786288   0.15
## 3003             FP011  0.1041491854   0.15
## 3004             FP039 -0.2038968875   0.15
## 3005             FP040  0.3254007084   0.15
## 3006             FP043  0.1685895852   0.15
## 3007             FP044 -0.5488024859   0.15
## 3008             FP050 -0.0038921250   0.15
## 3009             FP059 -0.5782751618   0.15
## 3010             FP063  0.2850948829   0.15
## 3011             FP072  0.4584343590   0.15
## 3012             FP073  0.0367867962   0.15
## 3013             FP074  0.1163292998   0.15
## 3014             FP084  0.0747062300   0.15
## 3015             FP094 -0.0567192259   0.15
## 3016             FP101  0.0396227725   0.15
## 3017             FP111 -0.1283600608   0.15
## 3018             FP124  0.0054472012   0.15
## 3019             FP135  0.2493512120   0.15
## 3020             FP142  0.3342292410   0.15
## 3021             FP147  0.0736102979   0.15
## 3022             FP172 -0.0404058364   0.15
## 3023             FP193 -0.0017617755   0.15
## 3024             FP204 -0.2214420681   0.15
## 3025             FP206 -0.2355032816   0.15
## 3026         MolWeight -0.0071031175   0.15
## 3027      NumMultBonds -0.0646492376   0.15
## 3028       NumRotBonds -0.0118190474   0.15
## 3029         NumCarbon -0.1200727172   0.15
## 3030         NumOxygen  0.1361853059   0.15
## 3031         NumSulfer -0.0900109434   0.15
## 3032       NumChlorine -0.2797318141   0.15
## 3033 HydrophilicFactor  0.0696293441   0.15
## 3034      SurfaceArea1  0.0053537512   0.15
## 3035       (Intercept) -0.3867786288   0.14
## 3036             FP011  0.1041491854   0.14
## 3037             FP039 -0.2038968875   0.14
## 3038             FP040  0.3254007084   0.14
## 3039             FP043  0.1685895852   0.14
## 3040             FP044 -0.5488024859   0.14
## 3041             FP050 -0.0038921250   0.14
## 3042             FP059 -0.5782751618   0.14
## 3043             FP063  0.2850948829   0.14
## 3044             FP072  0.4584343590   0.14
## 3045             FP073  0.0367867962   0.14
## 3046             FP074  0.1163292998   0.14
## 3047             FP084  0.0747062300   0.14
## 3048             FP094 -0.0567192259   0.14
## 3049             FP101  0.0396227725   0.14
## 3050             FP111 -0.1283600608   0.14
## 3051             FP124  0.0054472012   0.14
## 3052             FP135  0.2493512120   0.14
## 3053             FP142  0.3342292410   0.14
## 3054             FP147  0.0736102979   0.14
## 3055             FP172 -0.0404058364   0.14
## 3056             FP193 -0.0017617755   0.14
## 3057             FP204 -0.2214420681   0.14
## 3058             FP206 -0.2355032816   0.14
## 3059         MolWeight -0.0071031175   0.14
## 3060      NumMultBonds -0.0646492376   0.14
## 3061       NumRotBonds -0.0118190474   0.14
## 3062         NumCarbon -0.1200727172   0.14
## 3063         NumOxygen  0.1361853059   0.14
## 3064         NumSulfer -0.0900109434   0.14
## 3065       NumChlorine -0.2797318141   0.14
## 3066 HydrophilicFactor  0.0696293441   0.14
## 3067      SurfaceArea1  0.0053537512   0.14
## 3068       (Intercept) -0.3867786288   0.13
## 3069             FP011  0.1041491854   0.13
## 3070             FP039 -0.2038968875   0.13
## 3071             FP040  0.3254007084   0.13
## 3072             FP043  0.1685895852   0.13
## 3073             FP044 -0.5488024859   0.13
## 3074             FP050 -0.0038921250   0.13
## 3075             FP059 -0.5782751618   0.13
## 3076             FP063  0.2850948829   0.13
## 3077             FP072  0.4584343590   0.13
## 3078             FP073  0.0367867962   0.13
## 3079             FP074  0.1163292998   0.13
## 3080             FP084  0.0747062300   0.13
## 3081             FP094 -0.0567192259   0.13
## 3082             FP101  0.0396227725   0.13
## 3083             FP111 -0.1283600608   0.13
## 3084             FP124  0.0054472012   0.13
## 3085             FP135  0.2493512120   0.13
## 3086             FP142  0.3342292410   0.13
## 3087             FP147  0.0736102979   0.13
## 3088             FP172 -0.0404058364   0.13
## 3089             FP193 -0.0017617755   0.13
## 3090             FP204 -0.2214420681   0.13
## 3091             FP206 -0.2355032816   0.13
## 3092         MolWeight -0.0071031175   0.13
## 3093      NumMultBonds -0.0646492376   0.13
## 3094       NumRotBonds -0.0118190474   0.13
## 3095         NumCarbon -0.1200727172   0.13
## 3096         NumOxygen  0.1361853059   0.13
## 3097         NumSulfer -0.0900109434   0.13
## 3098       NumChlorine -0.2797318141   0.13
## 3099 HydrophilicFactor  0.0696293441   0.13
## 3100      SurfaceArea1  0.0053537512   0.13
## 3101       (Intercept) -0.3867786288   0.12
## 3102             FP011  0.1041491854   0.12
## 3103             FP039 -0.2038968875   0.12
## 3104             FP040  0.3254007084   0.12
## 3105             FP043  0.1685895852   0.12
## 3106             FP044 -0.5488024859   0.12
## 3107             FP050 -0.0038921250   0.12
## 3108             FP059 -0.5782751618   0.12
## 3109             FP063  0.2850948829   0.12
## 3110             FP072  0.4584343590   0.12
## 3111             FP073  0.0367867962   0.12
## 3112             FP074  0.1163292998   0.12
## 3113             FP084  0.0747062300   0.12
## 3114             FP094 -0.0567192259   0.12
## 3115             FP101  0.0396227725   0.12
## 3116             FP111 -0.1283600608   0.12
## 3117             FP124  0.0054472012   0.12
## 3118             FP135  0.2493512120   0.12
## 3119             FP142  0.3342292410   0.12
## 3120             FP147  0.0736102979   0.12
## 3121             FP172 -0.0404058364   0.12
## 3122             FP193 -0.0017617755   0.12
## 3123             FP204 -0.2214420681   0.12
## 3124             FP206 -0.2355032816   0.12
## 3125         MolWeight -0.0071031175   0.12
## 3126      NumMultBonds -0.0646492376   0.12
## 3127       NumRotBonds -0.0118190474   0.12
## 3128         NumCarbon -0.1200727172   0.12
## 3129         NumOxygen  0.1361853059   0.12
## 3130         NumSulfer -0.0900109434   0.12
## 3131       NumChlorine -0.2797318141   0.12
## 3132 HydrophilicFactor  0.0696293441   0.12
## 3133      SurfaceArea1  0.0053537512   0.12
## 3134       (Intercept) -0.3867786288   0.11
## 3135             FP011  0.1041491854   0.11
## 3136             FP039 -0.2038968875   0.11
## 3137             FP040  0.3254007084   0.11
## 3138             FP043  0.1685895852   0.11
## 3139             FP044 -0.5488024859   0.11
## 3140             FP050 -0.0038921250   0.11
## 3141             FP059 -0.5782751618   0.11
## 3142             FP063  0.2850948829   0.11
## 3143             FP072  0.4584343590   0.11
## 3144             FP073  0.0367867962   0.11
## 3145             FP074  0.1163292998   0.11
## 3146             FP084  0.0747062300   0.11
## 3147             FP094 -0.0567192259   0.11
## 3148             FP101  0.0396227725   0.11
## 3149             FP111 -0.1283600608   0.11
## 3150             FP124  0.0054472012   0.11
## 3151             FP135  0.2493512120   0.11
## 3152             FP142  0.3342292410   0.11
## 3153             FP147  0.0736102979   0.11
## 3154             FP172 -0.0404058364   0.11
## 3155             FP193 -0.0017617755   0.11
## 3156             FP204 -0.2214420681   0.11
## 3157             FP206 -0.2355032816   0.11
## 3158         MolWeight -0.0071031175   0.11
## 3159      NumMultBonds -0.0646492376   0.11
## 3160       NumRotBonds -0.0118190474   0.11
## 3161         NumCarbon -0.1200727172   0.11
## 3162         NumOxygen  0.1361853059   0.11
## 3163         NumSulfer -0.0900109434   0.11
## 3164       NumChlorine -0.2797318141   0.11
## 3165 HydrophilicFactor  0.0696293441   0.11
## 3166      SurfaceArea1  0.0053537512   0.11
## 3167       (Intercept) -0.3867786288   0.10
## 3168             FP011  0.1041491854   0.10
## 3169             FP039 -0.2038968875   0.10
## 3170             FP040  0.3254007084   0.10
## 3171             FP043  0.1685895852   0.10
## 3172             FP044 -0.5488024859   0.10
## 3173             FP050 -0.0038921250   0.10
## 3174             FP059 -0.5782751618   0.10
## 3175             FP063  0.2850948829   0.10
## 3176             FP072  0.4584343590   0.10
## 3177             FP073  0.0367867962   0.10
## 3178             FP074  0.1163292998   0.10
## 3179             FP084  0.0747062300   0.10
## 3180             FP094 -0.0567192259   0.10
## 3181             FP101  0.0396227725   0.10
## 3182             FP111 -0.1283600608   0.10
## 3183             FP124  0.0054472012   0.10
## 3184             FP135  0.2493512120   0.10
## 3185             FP142  0.3342292410   0.10
## 3186             FP147  0.0736102979   0.10
## 3187             FP172 -0.0404058364   0.10
## 3188             FP193 -0.0017617755   0.10
## 3189             FP204 -0.2214420681   0.10
## 3190             FP206 -0.2355032816   0.10
## 3191         MolWeight -0.0071031175   0.10
## 3192      NumMultBonds -0.0646492376   0.10
## 3193       NumRotBonds -0.0118190474   0.10
## 3194         NumCarbon -0.1200727172   0.10
## 3195         NumOxygen  0.1361853059   0.10
## 3196         NumSulfer -0.0900109434   0.10
## 3197       NumChlorine -0.2797318141   0.10
## 3198 HydrophilicFactor  0.0696293441   0.10
## 3199      SurfaceArea1  0.0053537512   0.10
## 3200       (Intercept) -0.3659750615   0.09
## 3201             FP011  0.1144969208   0.09
## 3202             FP039 -0.2410780349   0.09
## 3203             FP040  0.3507376729   0.09
## 3204             FP043  0.1727414302   0.09
## 3205             FP044 -0.5317351534   0.09
## 3206             FP050 -0.0240595135   0.09
## 3207             FP059 -0.5728041229   0.09
## 3208             FP063  0.3094110839   0.09
## 3209             FP065 -0.0158365849   0.09
## 3210             FP072  0.4537819021   0.09
## 3211             FP073  0.0398561294   0.09
## 3212             FP074  0.1310613560   0.09
## 3213             FP080  0.0169006465   0.09
## 3214             FP084  0.0588643782   0.09
## 3215             FP094 -0.0686234010   0.09
## 3216             FP101  0.0679583906   0.09
## 3217             FP111 -0.1690378913   0.09
## 3218             FP124  0.0169966110   0.09
## 3219             FP135  0.2559012733   0.09
## 3220             FP142  0.3519327507   0.09
## 3221             FP147  0.0679318969   0.09
## 3222             FP172 -0.0482770134   0.09
## 3223             FP193 -0.0280468913   0.09
## 3224             FP204 -0.2149902226   0.09
## 3225             FP206 -0.2379201526   0.09
## 3226         MolWeight -0.0070750028   0.09
## 3227      NumMultBonds -0.0640277179   0.09
## 3228       NumRotBonds -0.0172414266   0.09
## 3229         NumCarbon -0.1240468219   0.09
## 3230         NumOxygen  0.1482908823   0.09
## 3231         NumSulfer -0.1037980323   0.09
## 3232       NumChlorine -0.2817425593   0.09
## 3233 HydrophilicFactor  0.0625883883   0.09
## 3234      SurfaceArea1  0.0054365642   0.09
## 3235       (Intercept) -0.3430448029   0.08
## 3236             FP011  0.1193360692   0.08
## 3237             FP039 -0.2858689163   0.08
## 3238             FP040  0.3736270206   0.08
## 3239             FP043  0.1800151423   0.08
## 3240             FP044 -0.5190563564   0.08
## 3241             FP050 -0.0461235450   0.08
## 3242             FP059 -0.5647790515   0.08
## 3243             FP063  0.3330317174   0.08
## 3244             FP065 -0.0435421126   0.08
## 3245             FP072  0.4520242641   0.08
## 3246             FP073  0.0394368035   0.08
## 3247             FP074  0.1486208870   0.08
## 3248             FP080  0.0350042802   0.08
## 3249             FP084  0.0298589259   0.08
## 3250             FP085 -0.0068340186   0.08
## 3251             FP094 -0.0785863251   0.08
## 3252             FP101  0.1050501202   0.08
## 3253             FP111 -0.2075260869   0.08
## 3254             FP124  0.0301172636   0.08
## 3255             FP135  0.2632113065   0.08
## 3256             FP136  0.0155088631   0.08
## 3257             FP142  0.3706554985   0.08
## 3258             FP144  0.0100264979   0.08
## 3259             FP147  0.0584657618   0.08
## 3260             FP172 -0.0490814135   0.08
## 3261             FP193 -0.0513649318   0.08
## 3262             FP204 -0.2059135066   0.08
## 3263             FP206 -0.2345703203   0.08
## 3264         MolWeight -0.0070695556   0.08
## 3265      NumMultBonds -0.0627018615   0.08
## 3266       NumRotBonds -0.0252396206   0.08
## 3267         NumCarbon -0.1269936046   0.08
## 3268         NumOxygen  0.1655597315   0.08
## 3269         NumSulfer -0.1146843281   0.08
## 3270       NumChlorine -0.2830358174   0.08
## 3271 HydrophilicFactor  0.0608117127   0.08
## 3272      SurfaceArea1  0.0052409682   0.08
## 3273       (Intercept) -0.3160872675   0.07
## 3274             FP011  0.1220388231   0.07
## 3275             FP039 -0.3500907491   0.07
## 3276             FP040  0.3856920981   0.07
## 3277             FP043  0.2000811249   0.07
## 3278             FP044 -0.5147061010   0.07
## 3279             FP050 -0.0656966626   0.07
## 3280             FP059 -0.5566537567   0.07
## 3281             FP063  0.3592443701   0.07
## 3282             FP065 -0.0686176268   0.07
## 3283             FP072  0.4515622917   0.07
## 3284             FP073  0.0388415864   0.07
## 3285             FP074  0.1621929476   0.07
## 3286             FP080  0.0427922480   0.07
## 3287             FP084  0.0026632971   0.07
## 3288             FP085 -0.0391209354   0.07
## 3289             FP088  0.0113241769   0.07
## 3290             FP094 -0.0850251870   0.07
## 3291             FP101  0.1253944952   0.07
## 3292             FP111 -0.2412977063   0.07
## 3293             FP124  0.0432293775   0.07
## 3294             FP135  0.2761394646   0.07
## 3295             FP136  0.0711415353   0.07
## 3296             FP142  0.3947527121   0.07
## 3297             FP144  0.0322012037   0.07
## 3298             FP147  0.0502673652   0.07
## 3299             FP172 -0.0432858560   0.07
## 3300             FP175 -0.0072048813   0.07
## 3301             FP193 -0.0592554115   0.07
## 3302             FP204 -0.1947287350   0.07
## 3303             FP206 -0.2250780359   0.07
## 3304         MolWeight -0.0070458839   0.07
## 3305      NumMultBonds -0.0600820670   0.07
## 3306       NumRotBonds -0.0350400330   0.07
## 3307         NumCarbon -0.1303315645   0.07
## 3308         NumOxygen  0.1929510989   0.07
## 3309         NumSulfer -0.1245004525   0.07
## 3310       NumChlorine -0.2849099454   0.07
## 3311 HydrophilicFactor  0.0646293950   0.07
## 3312      SurfaceArea1  0.0043786159   0.07
## 3313       (Intercept) -0.2886544084   0.06
## 3314             FP011  0.1239735294   0.06
## 3315             FP031  0.0051528633   0.06
## 3316             FP039 -0.4169426320   0.06
## 3317             FP040  0.3921157171   0.06
## 3318             FP043  0.2220545466   0.06
## 3319             FP044 -0.5100109976   0.06
## 3320             FP050 -0.0845633781   0.06
## 3321             FP059 -0.5474752549   0.06
## 3322             FP063  0.3868784315   0.06
## 3323             FP065 -0.0932439253   0.06
## 3324             FP072  0.4497719607   0.06
## 3325             FP073  0.0425039099   0.06
## 3326             FP074  0.1733635010   0.06
## 3327             FP080  0.0474092859   0.06
## 3328             FP081 -0.0025814556   0.06
## 3329             FP082 -0.0040673974   0.06
## 3330             FP085 -0.0728343298   0.06
## 3331             FP088  0.0314614738   0.06
## 3332             FP094 -0.0864884353   0.06
## 3333             FP101  0.1206096541   0.06
## 3334             FP111 -0.2720417795   0.06
## 3335             FP124  0.0581177609   0.06
## 3336             FP135  0.2894975106   0.06
## 3337             FP136  0.1306725914   0.06
## 3338             FP142  0.4187239402   0.06
## 3339             FP144  0.0535101350   0.06
## 3340             FP147  0.0430944435   0.06
## 3341             FP172 -0.0378440271   0.06
## 3342             FP175 -0.0261481094   0.06
## 3343             FP193 -0.0667092785   0.06
## 3344             FP204 -0.1736653119   0.06
## 3345             FP206 -0.2231938030   0.06
## 3346         MolWeight -0.0070174475   0.06
## 3347      NumMultBonds -0.0572161331   0.06
## 3348       NumRotBonds -0.0446525497   0.06
## 3349         NumCarbon -0.1336924721   0.06
## 3350         NumOxygen  0.2179440714   0.06
## 3351         NumSulfer -0.1352083923   0.06
## 3352       NumChlorine -0.2868693582   0.06
## 3353 HydrophilicFactor  0.0684243596   0.06
## 3354      SurfaceArea1  0.0035264128   0.06
## 3355       (Intercept) -0.2596639769   0.05
## 3356             FP011  0.1228882566   0.05
## 3357             FP031  0.0307305921   0.05
## 3358             FP039 -0.4888229777   0.05
## 3359             FP040  0.4024265011   0.05
## 3360             FP043  0.2456394281   0.05
## 3361             FP044 -0.5027663848   0.05
## 3362             FP050 -0.1063566272   0.05
## 3363             FP059 -0.5425812320   0.05
## 3364             FP063  0.4118236544   0.05
## 3365             FP065 -0.1188143193   0.05
## 3366             FP072  0.4499620005   0.05
## 3367             FP073  0.0490273201   0.05
## 3368             FP074  0.1847267220   0.05
## 3369             FP080  0.0499990729   0.05
## 3370             FP081 -0.0382852558   0.05
## 3371             FP082 -0.0174177721   0.05
## 3372             FP085 -0.1037853418   0.05
## 3373             FP088  0.0502654028   0.05
## 3374             FP094 -0.0898136149   0.05
## 3375             FP101  0.1131469328   0.05
## 3376             FP111 -0.2929025365   0.05
## 3377             FP122  0.0036776577   0.05
## 3378             FP124  0.0741173877   0.05
## 3379             FP126 -0.0186634489   0.05
## 3380             FP135  0.3067137223   0.05
## 3381             FP136  0.1992683777   0.05
## 3382             FP142  0.4461167658   0.05
## 3383             FP144  0.0719405404   0.05
## 3384             FP147  0.0357709773   0.05
## 3385             FP172 -0.0290726394   0.05
## 3386             FP175 -0.0161848678   0.05
## 3387             FP188  0.0176420363   0.05
## 3388             FP193 -0.0783298586   0.05
## 3389             FP198  0.0072350157   0.05
## 3390             FP202  0.0164219352   0.05
## 3391             FP204 -0.1551142279   0.05
## 3392             FP206 -0.2190132639   0.05
## 3393         MolWeight -0.0070100242   0.05
## 3394      NumMultBonds -0.0563019757   0.05
## 3395       NumRotBonds -0.0556599012   0.05
## 3396         NumCarbon -0.1349148801   0.05
## 3397         NumOxygen  0.2402329619   0.05
## 3398         NumSulfer -0.1434578061   0.05
## 3399       NumChlorine -0.2886008939   0.05
## 3400 HydrophilicFactor  0.0729906156   0.05
## 3401      SurfaceArea1  0.0027849839   0.05
## 3402       (Intercept) -0.2554290552   0.04
## 3403             FP011  0.1253434268   0.04
## 3404             FP026  0.0115098598   0.04
## 3405             FP031  0.0645886973   0.04
## 3406             FP033  0.0233508314   0.04
## 3407             FP037  0.0075994740   0.04
## 3408             FP039 -0.5451717409   0.04
## 3409             FP040  0.4232817626   0.04
## 3410             FP042  0.0778813852   0.04
## 3411             FP043  0.2490051192   0.04
## 3412             FP044 -0.4836336512   0.04
## 3413             FP050 -0.1420933928   0.04
## 3414             FP059 -0.5221974653   0.04
## 3415             FP063  0.4386913378   0.04
## 3416             FP065 -0.1635931445   0.04
## 3417             FP070 -0.0137204668   0.04
## 3418             FP072  0.4595059360   0.04
## 3419             FP073  0.0448118549   0.04
## 3420             FP074  0.2004737611   0.04
## 3421             FP080  0.0489193597   0.04
## 3422             FP081 -0.0940519212   0.04
## 3423             FP082 -0.0357088346   0.04
## 3424             FP085 -0.1358417485   0.04
## 3425             FP088  0.0589253368   0.04
## 3426             FP094 -0.0815854808   0.04
## 3427             FP101  0.1561169051   0.04
## 3428             FP111 -0.3070541443   0.04
## 3429             FP122  0.0392405043   0.04
## 3430             FP123 -0.0226211993   0.04
## 3431             FP124  0.1024102252   0.04
## 3432             FP126 -0.0846630324   0.04
## 3433             FP128 -0.0386718423   0.04
## 3434             FP135  0.3256571225   0.04
## 3435             FP136  0.2347133385   0.04
## 3436             FP142  0.4893951783   0.04
## 3437             FP144  0.0630417611   0.04
## 3438             FP145 -0.0590096091   0.04
## 3439             FP147  0.0188553498   0.04
## 3440             FP148 -0.0125682815   0.04
## 3441             FP154 -0.0038045086   0.04
## 3442             FP172 -0.0122365871   0.04
## 3443             FP175 -0.0007303732   0.04
## 3444             FP188  0.0691566285   0.04
## 3445             FP193 -0.0930938325   0.04
## 3446             FP198  0.0451649051   0.04
## 3447             FP202  0.0909781316   0.04
## 3448             FP204 -0.1189591490   0.04
## 3449             FP206 -0.2296150230   0.04
## 3450             FP207  0.0230973981   0.04
## 3451         MolWeight -0.0068112641   0.04
## 3452      NumMultBonds -0.0596145171   0.04
## 3453       NumRotBonds -0.0705412127   0.04
## 3454         NumCarbon -0.1371626541   0.04
## 3455         NumOxygen  0.2593777004   0.04
## 3456         NumSulfer -0.1639644709   0.04
## 3457       NumChlorine -0.2883843634   0.04
## 3458 HydrophilicFactor  0.0663695082   0.04
## 3459      SurfaceArea1  0.0030085965   0.04
## 3460       (Intercept) -0.2506800390   0.03
## 3461             FP011  0.1368943827   0.03
## 3462             FP026  0.0676725179   0.03
## 3463             FP031  0.0949047660   0.03
## 3464             FP033  0.1179139012   0.03
## 3465             FP034 -0.0270453490   0.03
## 3466             FP036 -0.0020680064   0.03
## 3467             FP037  0.0577798205   0.03
## 3468             FP039 -0.5879699771   0.03
## 3469             FP040  0.4596965014   0.03
## 3470             FP042  0.1510859557   0.03
## 3471             FP043  0.2479084530   0.03
## 3472             FP044 -0.4457316248   0.03
## 3473             FP050 -0.1767144981   0.03
## 3474             FP059 -0.5149351737   0.03
## 3475             FP063  0.4874238538   0.03
## 3476             FP065 -0.1949105578   0.03
## 3477             FP070 -0.0209910571   0.03
## 3478             FP072  0.4696410396   0.03
## 3479             FP073  0.0234686470   0.03
## 3480             FP074  0.1951421172   0.03
## 3481             FP080  0.0482056019   0.03
## 3482             FP081 -0.1583083613   0.03
## 3483             FP082 -0.0479449355   0.03
## 3484             FP085 -0.1745399773   0.03
## 3485             FP087 -0.0001578350   0.03
## 3486             FP088  0.0725403871   0.03
## 3487             FP094 -0.0640557002   0.03
## 3488             FP098 -0.0077784948   0.03
## 3489             FP101  0.2055822913   0.03
## 3490             FP102  0.0161661791   0.03
## 3491             FP111 -0.3418202285   0.03
## 3492             FP122  0.0758767611   0.03
## 3493             FP123 -0.0522775611   0.03
## 3494             FP124  0.1334537209   0.03
## 3495             FP126 -0.1445332504   0.03
## 3496             FP128 -0.0826961119   0.03
## 3497             FP135  0.3170555058   0.03
## 3498             FP136  0.2480819421   0.03
## 3499             FP138  0.0095463297   0.03
## 3500             FP142  0.5173532319   0.03
## 3501             FP144  0.0664637279   0.03
## 3502             FP145 -0.1406124490   0.03
## 3503             FP147  0.0102619042   0.03
## 3504             FP148 -0.0614534853   0.03
## 3505             FP154 -0.0483503618   0.03
## 3506             FP159  0.0461817411   0.03
## 3507             FP166  0.0118283975   0.03
## 3508             FP168 -0.0264466681   0.03
## 3509             FP171  0.0050252443   0.03
## 3510             FP172 -0.0210234455   0.03
## 3511             FP187  0.0177635056   0.03
## 3512             FP188  0.1181864758   0.03
## 3513             FP193 -0.1098333416   0.03
## 3514             FP198  0.0699432629   0.03
## 3515             FP202  0.1799384741   0.03
## 3516             FP204 -0.0894392122   0.03
## 3517             FP206 -0.2286983979   0.03
## 3518             FP207  0.1274602007   0.03
## 3519         MolWeight -0.0065611722   0.03
## 3520      NumMultBonds -0.0658544159   0.03
## 3521       NumRotBonds -0.0828723884   0.03
## 3522         NumCarbon -0.1409717796   0.03
## 3523         NumOxygen  0.2766709550   0.03
## 3524         NumSulfer -0.2044718579   0.03
## 3525       NumChlorine -0.2862439636   0.03
## 3526 HydrophilicFactor  0.0545552631   0.03
## 3527      SurfaceArea1  0.0037068663   0.03
## 3528       (Intercept) -0.2515844623   0.02
## 3529             FP002  0.0039513354   0.02
## 3530             FP004 -0.0135550864   0.02
## 3531             FP007 -0.0047199882   0.02
## 3532             FP011  0.1025472243   0.02
## 3533             FP015 -0.0084499148   0.02
## 3534             FP021  0.0108869959   0.02
## 3535             FP023 -0.0059258072   0.02
## 3536             FP026  0.1376912365   0.02
## 3537             FP029 -0.0057911958   0.02
## 3538             FP031  0.1378741817   0.02
## 3539             FP033  0.1895882179   0.02
## 3540             FP034 -0.0938333487   0.02
## 3541             FP036 -0.0089244570   0.02
## 3542             FP037  0.1034709090   0.02
## 3543             FP039 -0.6208231809   0.02
## 3544             FP040  0.5217092799   0.02
## 3545             FP042  0.2052899138   0.02
## 3546             FP043  0.2458006743   0.02
## 3547             FP044 -0.3824344611   0.02
## 3548             FP049  0.0033744314   0.02
## 3549             FP050 -0.1949132363   0.02
## 3550             FP053  0.0136741176   0.02
## 3551             FP059 -0.4918956977   0.02
## 3552             FP063  0.5690075234   0.02
## 3553             FP064  0.0212364214   0.02
## 3554             FP065 -0.2023922257   0.02
## 3555             FP070 -0.0316035105   0.02
## 3556             FP072  0.5230849929   0.02
## 3557             FP073  0.0140140235   0.02
## 3558             FP074  0.1752487399   0.02
## 3559             FP075  0.0468191374   0.02
## 3560             FP080  0.0407763695   0.02
## 3561             FP081 -0.2227261023   0.02
## 3562             FP082 -0.0594267488   0.02
## 3563             FP083 -0.0164294876   0.02
## 3564             FP085 -0.2081710040   0.02
## 3565             FP087 -0.0662260950   0.02
## 3566             FP088  0.0969554585   0.02
## 3567             FP089  0.0041350110   0.02
## 3568             FP091  0.0460866318   0.02
## 3569             FP094 -0.0605582112   0.02
## 3570             FP098 -0.0892028805   0.02
## 3571             FP099  0.0104121658   0.02
## 3572             FP100 -0.0108328385   0.02
## 3573             FP101  0.2260135110   0.02
## 3574             FP102  0.0245002008   0.02
## 3575             FP103 -0.0335310783   0.02
## 3576             FP104 -0.0057191136   0.02
## 3577             FP109  0.0151736469   0.02
## 3578             FP111 -0.4213259725   0.02
## 3579             FP113  0.0041832527   0.02
## 3580             FP122  0.1196216609   0.02
## 3581             FP123 -0.0700222912   0.02
## 3582             FP124  0.1786641524   0.02
## 3583             FP126 -0.2262768335   0.02
## 3584             FP128 -0.1541423256   0.02
## 3585             FP131  0.0122302776   0.02
## 3586             FP133 -0.0251980940   0.02
## 3587             FP135  0.2893890828   0.02
## 3588             FP136  0.2716243836   0.02
## 3589             FP138  0.0470306603   0.02
## 3590             FP142  0.5103283002   0.02
## 3591             FP144  0.0765396400   0.02
## 3592             FP145 -0.2275035180   0.02
## 3593             FP148 -0.1228102032   0.02
## 3594             FP149  0.0018339944   0.02
## 3595             FP154 -0.1439979057   0.02
## 3596             FP155  0.0028127828   0.02
## 3597             FP157 -0.0277159038   0.02
## 3598             FP159  0.1037244771   0.02
## 3599             FP161 -0.0129566110   0.02
## 3600             FP164  0.0220276820   0.02
## 3601             FP166  0.0588343398   0.02
## 3602             FP168 -0.0454598373   0.02
## 3603             FP171  0.0569054065   0.02
## 3604             FP172 -0.0461273934   0.02
## 3605             FP173  0.0115358336   0.02
## 3606             FP176  0.0164165890   0.02
## 3607             FP180 -0.0005828933   0.02
## 3608             FP184  0.0221713339   0.02
## 3609             FP186 -0.0056084680   0.02
## 3610             FP187  0.0755390940   0.02
## 3611             FP188  0.1716142524   0.02
## 3612             FP191  0.0133292377   0.02
## 3613             FP193 -0.1326184063   0.02
## 3614             FP196  0.0065718181   0.02
## 3615             FP198  0.0671835837   0.02
## 3616             FP201 -0.1098970650   0.02
## 3617             FP202  0.2463560798   0.02
## 3618             FP203  0.0015899788   0.02
## 3619             FP204 -0.0529327972   0.02
## 3620             FP206 -0.1973621695   0.02
## 3621             FP207  0.2324079137   0.02
## 3622         MolWeight -0.0063390000   0.02
## 3623      NumMultBonds -0.0736133609   0.02
## 3624       NumRotBonds -0.1013725371   0.02
## 3625  NumAromaticBonds -0.0009236023   0.02
## 3626         NumCarbon -0.1443907689   0.02
## 3627         NumOxygen  0.3027163798   0.02
## 3628         NumSulfer -0.2492771001   0.02
## 3629       NumChlorine -0.2858109526   0.02
## 3630 HydrophilicFactor  0.0339099172   0.02
## 3631      SurfaceArea1  0.0049936096   0.02
## 3632       (Intercept) -0.1185041111   0.01
## 3633             FP002  0.0070742039   0.01
## 3634             FP004 -0.1634616681   0.01
## 3635             FP007 -0.0628235426   0.01
## 3636             FP011  0.0213730504   0.01
## 3637             FP015 -0.1054704650   0.01
## 3638             FP017 -0.0563303605   0.01
## 3639             FP021  0.0112931875   0.01
## 3640             FP023 -0.1480926556   0.01
## 3641             FP024 -0.0344902941   0.01
## 3642             FP026  0.2346177464   0.01
## 3643             FP027  0.0302567043   0.01
## 3644             FP029 -0.0043696623   0.01
## 3645             FP031  0.1710569474   0.01
## 3646             FP033  0.2462993854   0.01
## 3647             FP034 -0.1713600028   0.01
## 3648             FP036 -0.0003080760   0.01
## 3649             FP037  0.1374687169   0.01
## 3650             FP039 -0.6062616446   0.01
## 3651             FP040  0.5601170284   0.01
## 3652             FP042  0.1894131010   0.01
## 3653             FP043  0.2730018424   0.01
## 3654             FP044 -0.3544756852   0.01
## 3655             FP045  0.0052268431   0.01
## 3656             FP049  0.0367461300   0.01
## 3657             FP050 -0.1977436347   0.01
## 3658             FP053  0.0732771429   0.01
## 3659             FP057 -0.0027104273   0.01
## 3660             FP059 -0.4017957006   0.01
## 3661             FP061 -0.0122839701   0.01
## 3662             FP063  0.7171632566   0.01
## 3663             FP064  0.1270769714   0.01
## 3664             FP065 -0.2456542218   0.01
## 3665             FP067 -0.0006196949   0.01
## 3666             FP070 -0.0175678570   0.01
## 3667             FP071  0.0076056976   0.01
## 3668             FP072  0.6498807509   0.01
## 3669             FP074  0.1835539695   0.01
## 3670             FP075  0.1304738733   0.01
## 3671             FP076  0.0516589348   0.01
## 3672             FP078 -0.0346873272   0.01
## 3673             FP080  0.0093227947   0.01
## 3674             FP081 -0.2523969887   0.01
## 3675             FP082 -0.0654351986   0.01
## 3676             FP083 -0.1242429182   0.01
## 3677             FP084  0.0653976837   0.01
## 3678             FP085 -0.2496806286   0.01
## 3679             FP087 -0.1487638931   0.01
## 3680             FP088  0.1116364676   0.01
## 3681             FP089  0.1350118623   0.01
## 3682             FP090 -0.0131436504   0.01
## 3683             FP091  0.1277206273   0.01
## 3684             FP093  0.0022701436   0.01
## 3685             FP094 -0.1047417467   0.01
## 3686             FP096 -0.0585878543   0.01
## 3687             FP098 -0.1585363802   0.01
## 3688             FP099  0.0765248470   0.01
## 3689             FP100 -0.1347695390   0.01
## 3690             FP101  0.1395392167   0.01
## 3691             FP103 -0.1052340108   0.01
## 3692             FP104 -0.0625511773   0.01
## 3693             FP109  0.1416094625   0.01
## 3694             FP111 -0.4650869759   0.01
## 3695             FP113  0.0504122877   0.01
## 3696             FP115 -0.0270326341   0.01
## 3697             FP119  0.0129069883   0.01
## 3698             FP121 -0.0022450311   0.01
## 3699             FP122  0.1501609726   0.01
## 3700             FP123 -0.0903589114   0.01
## 3701             FP124  0.2536325050   0.01
## 3702             FP125 -0.0087997992   0.01
## 3703             FP126 -0.3621500490   0.01
## 3704             FP127 -0.0544640584   0.01
## 3705             FP128 -0.1536936670   0.01
## 3706             FP131  0.1083532531   0.01
## 3707             FP133 -0.1410485281   0.01
## 3708             FP135  0.2519495455   0.01
## 3709             FP136  0.2791691864   0.01
## 3710             FP138  0.0738251626   0.01
## 3711             FP141 -0.0199177591   0.01
## 3712             FP142  0.5047946059   0.01
## 3713             FP143  0.0076419049   0.01
## 3714             FP144  0.1521483974   0.01
## 3715             FP145 -0.2886135574   0.01
## 3716             FP147  0.0155507007   0.01
## 3717             FP148 -0.1796022297   0.01
## 3718             FP149  0.0057279771   0.01
## 3719             FP150  0.0293146750   0.01
## 3720             FP152 -0.0065983577   0.01
## 3721             FP154 -0.3331906195   0.01
## 3722             FP155  0.0356464014   0.01
## 3723             FP157 -0.1068531343   0.01
## 3724             FP159  0.1693650343   0.01
## 3725             FP161 -0.1318661027   0.01
## 3726             FP163  0.0776520747   0.01
## 3727             FP164  0.2352525044   0.01
## 3728             FP166  0.0391273946   0.01
## 3729             FP167 -0.0153055807   0.01
## 3730             FP168 -0.0886262505   0.01
## 3731             FP169 -0.0150238949   0.01
## 3732             FP171  0.1690110674   0.01
## 3733             FP172 -0.1922788317   0.01
## 3734             FP173  0.1554732977   0.01
## 3735             FP174 -0.0495926705   0.01
## 3736             FP176  0.1399672339   0.01
## 3737             FP180 -0.0011657865   0.01
## 3738             FP181  0.0911068647   0.01
## 3739             FP184  0.2183522986   0.01
## 3740             FP185 -0.0204206636   0.01
## 3741             FP186 -0.0701842887   0.01
## 3742             FP187  0.1394739810   0.01
## 3743             FP188  0.1740005917   0.01
## 3744             FP190  0.0528018934   0.01
## 3745             FP191  0.1388606870   0.01
## 3746             FP193 -0.1320737538   0.01
## 3747             FP196  0.0462998295   0.01
## 3748             FP198  0.0024725100   0.01
## 3749             FP201 -0.3685017539   0.01
## 3750             FP202  0.3266265118   0.01
## 3751             FP203  0.0087001544   0.01
## 3752             FP204 -0.0077084566   0.01
## 3753             FP206 -0.1128887775   0.01
## 3754             FP207  0.2290810021   0.01
## 3755         MolWeight -0.0064547977   0.01
## 3756      NumMultBonds -0.0365642128   0.01
## 3757       NumRotBonds -0.1212401509   0.01
## 3758  NumAromaticBonds -0.0626443493   0.01
## 3759         NumCarbon -0.1539651639   0.01
## 3760       NumNitrogen  0.0629921329   0.01
## 3761         NumOxygen  0.3907126134   0.01
## 3762         NumSulfer -0.2931849168   0.01
## 3763       NumChlorine -0.2922243363   0.01
## 3764 HydrophilicFactor  0.0431275789   0.01
## 3765      SurfaceArea1  0.0024823622   0.01
## 3766       (Intercept)  0.0219339414   0.00
## 3767             FP001  0.1426937532   0.00
## 3768             FP002  0.1315358049   0.00
## 3769             FP003 -0.1215427593   0.00
## 3770             FP004 -0.4422922278   0.00
## 3771             FP005 -0.3663077360   0.00
## 3772             FP006  0.0229319650   0.00
## 3773             FP007 -0.0916181150   0.00
## 3774             FP008  0.0225880935   0.00
## 3775             FP009 -0.6557791284   0.00
## 3776             FP010  0.6402225047   0.00
## 3777             FP011  0.1612968182   0.00
## 3778             FP012 -0.1369661679   0.00
## 3779             FP013 -0.2844289453   0.00
## 3780             FP014  0.3663096519   0.00
## 3781             FP015 -0.4071235302   0.00
## 3782             FP016  0.0431679529   0.00
## 3783             FP017 -0.1822960263   0.00
## 3784             FP018 -0.5026555830   0.00
## 3785             FP019  0.0638546462   0.00
## 3786             FP020 -0.0146080117   0.00
## 3787             FP021  0.1668459289   0.00
## 3788             FP022 -0.0823067351   0.00
## 3789             FP023 -0.4362277972   0.00
## 3790             FP024 -0.5330631654   0.00
## 3791             FP025  0.1662632009   0.00
## 3792             FP026  0.3343223377   0.00
## 3793             FP027  0.0327682155   0.00
## 3794             FP028  0.0642173769   0.00
## 3795             FP029 -0.0333805724   0.00
## 3796             FP030 -0.2000707355   0.00
## 3797             FP031  0.2187396026   0.00
## 3798             FP032 -1.4260838062   0.00
## 3799             FP033  0.8727536960   0.00
## 3800             FP034 -0.3613395132   0.00
## 3801             FP035 -0.1846349080   0.00
## 3802             FP036 -0.0219810165   0.00
## 3803             FP037  0.0566560637   0.00
## 3804             FP038  0.2322797675   0.00
## 3805             FP039 -0.2016607893   0.00
## 3806             FP040  0.6274271244   0.00
## 3807             FP041 -0.2269222056   0.00
## 3808             FP042 -0.0606433754   0.00
## 3809             FP043  0.5016249536   0.00
## 3810             FP044 -0.4288310052   0.00
## 3811             FP045  0.1295733282   0.00
## 3812             FP046 -0.1044079796   0.00
## 3813             FP047  0.0526735494   0.00
## 3814             FP048  0.3172054366   0.00
## 3815             FP049  0.0228020407   0.00
## 3816             FP050 -0.1472763334   0.00
## 3817             FP051  0.2577211629   0.00
## 3818             FP052 -0.2016823416   0.00
## 3819             FP053  0.1906548189   0.00
## 3820             FP054 -0.0277721462   0.00
## 3821             FP055 -0.2609466782   0.00
## 3822             FP056 -0.2743769392   0.00
## 3823             FP057 -0.0359928576   0.00
## 3824             FP058 -0.0102109044   0.00
## 3825             FP059 -0.1379360920   0.00
## 3826             FP060  0.2825059617   0.00
## 3827             FP061 -0.0585072572   0.00
## 3828             FP062 -0.2051519817   0.00
## 3829             FP063  0.9876894927   0.00
## 3830             FP064  0.2442325108   0.00
## 3831             FP065 -0.2264458137   0.00
## 3832             FP066  0.1970927197   0.00
## 3833             FP067 -0.2281091019   0.00
## 3834             FP068  0.2090220633   0.00
## 3835             FP069 -0.0351077150   0.00
## 3836             FP070  0.0387979584   0.00
## 3837             FP071  0.1690977653   0.00
## 3838             FP072  0.7506374687   0.00
## 3839             FP073 -0.5842311402   0.00
## 3840             FP074  0.2432154640   0.00
## 3841             FP075  0.1845315335   0.00
## 3842             FP076  0.4378715929   0.00
## 3843             FP077  0.0435498142   0.00
## 3844             FP078 -0.2996296289   0.00
## 3845             FP079  0.5220710532   0.00
## 3846             FP080  0.1564958185   0.00
## 3847             FP081 -0.4076970788   0.00
## 3848             FP082 -0.0987046290   0.00
## 3849             FP083 -0.5185753122   0.00
## 3850             FP084  0.4156790895   0.00
## 3851             FP085 -0.4341501565   0.00
## 3852             FP086 -0.0121101768   0.00
## 3853             FP087 -0.4745264882   0.00
## 3854             FP088  0.2588029518   0.00
## 3855             FP089  0.2720341492   0.00
## 3856             FP090 -0.1843799738   0.00
## 3857             FP091  0.2856238255   0.00
## 3858             FP092  0.0701535220   0.00
## 3859             FP093  0.2288643217   0.00
## 3860             FP094 -0.2287547321   0.00
## 3861             FP095  0.0030272778   0.00
## 3862             FP096 -0.2420300467   0.00
## 3863             FP097 -0.3996047195   0.00
## 3864             FP098 -0.2705740369   0.00
## 3865             FP099  0.0302218202   0.00
## 3866             FP100 -0.5027921499   0.00
## 3867             FP101 -0.2018091270   0.00
## 3868             FP102  0.0220523389   0.00
## 3869             FP103 -0.1704848043   0.00
## 3870             FP104 -0.2016366213   0.00
## 3871             FP105 -0.1585791485   0.00
## 3872             FP106 -0.0560009180   0.00
## 3873             FP107  0.3998103284   0.00
## 3874             FP108 -0.1765679083   0.00
## 3875             FP109  0.7269406948   0.00
## 3876             FP110  0.3000279375   0.00
## 3877             FP111 -0.6332609331   0.00
## 3878             FP112  0.1714557764   0.00
## 3879             FP113  0.1466016303   0.00
## 3880             FP114 -0.0632500153   0.00
## 3881             FP115 -0.2730606283   0.00
## 3882             FP116 -0.0773487080   0.00
## 3883             FP117  0.3593067139   0.00
## 3884             FP118 -0.1754615963   0.00
## 3885             FP119  0.4301017416   0.00
## 3886             FP120 -0.1238335988   0.00
## 3887             FP121 -0.1092086748   0.00
## 3888             FP122  0.1674902663   0.00
## 3889             FP123 -0.0660183886   0.00
## 3890             FP124  0.2214293815   0.00
## 3891             FP125 -0.0622891878   0.00
## 3892             FP126 -0.5517762809   0.00
## 3893             FP127 -0.4660883540   0.00
## 3894             FP128 -0.2192146745   0.00
## 3895             FP129 -0.0878306415   0.00
## 3896             FP130 -0.4574907286   0.00
## 3897             FP131  0.1959197993   0.00
## 3898             FP132 -0.0952763979   0.00
## 3899             FP133 -0.2825513328   0.00
## 3900             FP134 -0.0702795358   0.00
## 3901             FP135  0.2285840632   0.00
## 3902             FP136  0.0795294111   0.00
## 3903             FP137 -0.2815940563   0.00
## 3904             FP138 -0.0323628503   0.00
## 3905             FP139 -0.2880371488   0.00
## 3906             FP140  0.1297168402   0.00
## 3907             FP141  0.1877108317   0.00
## 3908             FP142  0.6563189056   0.00
## 3909             FP143  0.7239051367   0.00
## 3910             FP144  0.4605314807   0.00
## 3911             FP145 -0.3940786780   0.00
## 3912             FP146 -0.1204607367   0.00
## 3913             FP147  0.1768743909   0.00
## 3914             FP148 -0.2436589320   0.00
## 3915             FP149 -0.0434694045   0.00
## 3916             FP150  0.0745958758   0.00
## 3917             FP151  0.2605032437   0.00
## 3918             FP152 -0.3217999041   0.00
## 3919             FP153 -0.0001958607   0.00
## 3920             FP154 -0.7972810741   0.00
## 3921             FP155  0.1792845431   0.00
## 3922             FP156 -0.3434983515   0.00
## 3923             FP157 -0.5585369871   0.00
## 3924             FP158  0.2615888555   0.00
## 3925             FP159  0.2542633094   0.00
## 3926             FP160  0.0661855795   0.00
## 3927             FP161 -0.3725503781   0.00
## 3928             FP162 -0.0045386885   0.00
## 3929             FP163  0.4583466552   0.00
## 3930             FP164  0.6127706711   0.00
## 3931             FP165  0.3809325625   0.00
## 3932             FP166 -0.0379798654   0.00
## 3933             FP167 -0.5899705922   0.00
## 3934             FP168 -0.0595035047   0.00
## 3935             FP169 -0.0764583356   0.00
## 3936             FP170 -0.1937326716   0.00
## 3937             FP171  0.3752505935   0.00
## 3938             FP172 -0.3243282704   0.00
## 3939             FP173  0.4620549573   0.00
## 3940             FP174 -0.1828413513   0.00
## 3941             FP175  0.0712153343   0.00
## 3942             FP176  0.6368829908   0.00
## 3943             FP177 -0.0711332403   0.00
## 3944             FP178  0.3152930593   0.00
## 3945             FP179 -0.1288382304   0.00
## 3946             FP180 -0.5108862185   0.00
## 3947             FP181  0.5248522270   0.00
## 3948             FP182  0.0696477271   0.00
## 3949             FP183  0.4981912105   0.00
## 3950             FP184  0.3835460534   0.00
## 3951             FP185 -0.2236324269   0.00
## 3952             FP186 -0.1850823175   0.00
## 3953             FP187  0.6630221792   0.00
## 3954             FP188  0.1766956717   0.00
## 3955             FP189 -0.3784421393   0.00
## 3956             FP190  0.0555010755   0.00
## 3957             FP191  0.1990201835   0.00
## 3958             FP192 -0.2420766007   0.00
## 3959             FP193  0.1167012883   0.00
## 3960             FP194  0.1754225849   0.00
## 3961             FP195  0.0615722732   0.00
## 3962             FP196  0.4965789825   0.00
## 3963             FP197  0.0429252386   0.00
## 3964             FP198  0.0794252014   0.00
## 3965             FP199 -0.0706946233   0.00
## 3966             FP200 -0.1514611088   0.00
## 3967             FP201 -0.4289288363   0.00
## 3968             FP202  0.6017385916   0.00
## 3969             FP203  0.3159081609   0.00
## 3970             FP204 -0.2528466417   0.00
## 3971             FP205  0.1390222834   0.00
## 3972             FP206 -0.0865373373   0.00
## 3973             FP207  0.1005377719   0.00
## 3974             FP208 -0.4101279758   0.00
## 3975         MolWeight -0.0043893713   0.00
## 3976          NumAtoms  0.0228307880   0.00
## 3977      NumNonHAtoms -0.0361404247   0.00
## 3978          NumBonds  0.0082832136   0.00
## 3979      NumNonHBonds -0.0355750342   0.00
## 3980      NumMultBonds  0.0916470164   0.00
## 3981       NumRotBonds -0.1974380717   0.00
## 3982       NumDblBonds  0.1029679797   0.00
## 3983  NumAromaticBonds -0.2022454252   0.00
## 3984       NumHydrogen -0.0039417776   0.00
## 3985         NumCarbon -0.2011043372   0.00
## 3986       NumNitrogen  0.5778494653   0.00
## 3987         NumOxygen  0.8034092173   0.00
## 3988         NumSulfer -0.2572576209   0.00
## 3989       NumChlorine -0.3982146510   0.00
## 3990        NumHalogen  0.0385117231   0.00
## 3991          NumRings -0.0480303616   0.00
## 3992 HydrophilicFactor  0.0860093264   0.00
## 3993      SurfaceArea1 -0.0145855500   0.00
## 3994      SurfaceArea2 -0.0027161746   0.00
ggplot(lassobetadf, aes(x=lambda, y=coefficient)) + geom_line(aes(group=name, col=name), alpha=.3) + theme(legend.position="none") 

I’ve adjusted alpha to show concentration better, since there are so many predictors.

4.5 Model Selection

Without centered test data

#Compute the test MSE for each method
TrainXmeans <- apply(solTrainXtrans, FUN = mean, MARGIN=2)
TrainXsds <- apply(solTrainXtrans, FUN=sd, MARGIN=2)


pls_yhat <- as.matrix(solTestXtrans) %*% as.matrix(coef(pls_fit$finalModel,18))
pls_e <- as.matrix(solTestY) - pls_yhat
pls_MSE <- mean(pls_e**2)

pcr_yhat <- as.matrix(solTestXtrans) %*% as.matrix(coef(pcr_fit$finalModel,40))
pcr_e <- as.matrix(solTestY) - pcr_yhat
pcr_MSE <- mean(pcr_e**2)

ridge_yhat <- as.matrix(solTestXtrans)  %*% as.matrix(coef(ridge_fit, s = "lambda.min"))[c(2:229)]
ridge_e <- as.matrix(solTestY) - ridge_yhat
ridge_MSE <- mean(ridge_e**2)

lasso_yhat <- as.matrix(solTestXtrans) %*% as.matrix(coef(lasso_fit, s = "lambda.min"))[c(2:229)]
lasso_e <- as.matrix(solTestY) - lasso_yhat
lasso_MSE <- mean(lasso_e**2)
MSEs <- data.frame(Type = c("PLS", "PCR", "Ridge", "Lasso"),MSE = c(pls_MSE,pcr_MSE,ridge_MSE,lasso_MSE))

ggplot(MSEs, aes(x=Type, y=MSE)) + geom_point()

With centered test data

#Compute the test MSE for each method
TrainXmeans <- apply(solTrainXtrans, FUN = mean, MARGIN=2)
TrainXsds <- apply(solTrainXtrans, FUN=sd, MARGIN=2)

TrainYmean <- mean(solTrainY)
TrainYsd <- sd(solTrainY)

TestX <- sweep(solTestXtrans, STAT = TrainXmeans, FUN= "-", MARGIN=2)
TestX <- sweep(TestX, STAT=TrainXsds, FUN="/", MARGIN=2)

TestY <- (solTestY - TrainYmean)/(TrainYsd)
pls_yhat <- as.matrix(TestX) %*% as.matrix(coef(pls_fit$finalModel,18))
pls_e <- as.matrix(TestY) - pls_yhat
pls_MSE <- mean(pls_e**2)

pcr_yhat <- as.matrix(TestX) %*% as.matrix(coef(pcr_fit$finalModel,40))
pcr_e <- as.matrix(TestY) - pcr_yhat
pcr_MSE <- mean(pcr_e**2)

ridge_yhat <- as.matrix(TestX)  %*% as.matrix(coef(ridge_fit, s = "lambda.min"))[c(2:229)]
ridge_e <- as.matrix(TestY) - ridge_yhat
ridge_MSE <- mean(ridge_e**2)

lasso_yhat <- as.matrix(TestX) %*% as.matrix(coef(lasso_fit, s = "lambda.min"))[c(2:229)]
lasso_e <- as.matrix(TestY) - lasso_yhat
lasso_MSE <- mean(lasso_e**2)
MSEs <- data.frame(Type = c("PLS", "PCR", "Ridge", "Lasso"), MSE = c(pls_MSE,pcr_MSE,ridge_MSE,lasso_MSE))

ggplot(MSEs, aes(x=Type, y=MSE)) + geom_point()

Which method gives the smallest test-MSE?

PCR gives the smallest Test MSE.